4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine

C261H649N75 — CID 161414411

IUPAC4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine
SMILESC(CC1CCNCC1)CC1CCNCC1.C1CC(CCC2CCNCC2)CCN1.CC(C)(CN)CN.CC(C)(N)CN.CC(C)NCCCN.CC(C)NCCN.CC(CN)CCCN.CC(N)CN.CC1(C)CC(N)CC(C)(CN)C1.CC1CC(CC2CCC(N)C(C)C2)CCC1N.CCC(N)CN.CCCCC(CC)(CN)CCCN.CCCNCCCN.CCCNCCCNC(C)C.CCCNCCN.CCCNCCNC(C)C.CCNCCCNCC.CCNCCN.CCNCCNCC.CNCCCCCCN(C)CCCCCCNC.CNCCCCCCNC.CNCCCN.CNCCCNC.CNCCN.CNCCNC.NC1CCC(CC2CCC(N)CC2)CC1.NC1CCCNC1.NCC1CCCC(CN)C1.NCCCCCCCCCCCCN.NCCCCCCCCCCN.NCCCCCCCCN.NCCCCCCCN.NCCCCCCN.NCCCCCN.NCCCCN.NCCCN.NCCN
InChIInChI=1S/C15H35N3.C15H30N2.2C13H26N2.C12H24N2.C12H28N2.C11H26N2.C10H22N2.C10H24N2.C9H22N2.C8H18N2.3C8H20N2.2C7H18N2.5C6H16N2.C5H12N2.5C5H14N2.6C4H12N2.3C3H10N2.C2H8N2/c1-16-12-8-4-6-10-14-18(3)15-11-7-5-9-13-17-2;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;13-11-9-7-5-3-1-2-4-6-8-10-12-14;1-3-5-7-11(4-2,10-13)8-6-9-12;1-9(2)4-8(12)5-10(3,6-9)7-11;11-9-7-5-3-1-2-4-6-8-10-12;1-4-6-10-7-5-8-11-9(2)3;9-5-7-2-1-3-8(4-7)6-10;1-9-7-5-3-4-6-8-10-2;1-4-5-9-6-7-10-8(2)3;9-7-5-3-1-2-4-6-8-10;1-3-8-6-5-7-9-4-2;8-6-4-2-1-3-5-7-9;1-6(2)8-5-3-4-7;1-6(5-8)3-2-4-7;1-3-7-5-6-8-4-2;1-2-5-8-6-3-4-7;7-5-3-1-2-4-6-8;6-5-2-1-3-7-4-5;1-5(2,3-6)4-7;1-6-4-3-5-7-2;1-5(2)7-4-3-6;1-2-4-7-5-3-6;6-4-2-1-3-5-7;1-5-3-4-6-2;1-4(2,6)3-5;1-6-4-2-3-5;1-2-6-4-3-5;1-2-4(6)3-5;5-3-1-2-4-6;1-5-3-2-4;1-3(5)2-4;4-2-1-3-5;3-1-2-4/h16-17H,4-15H2,1-3H3;10-15H,3-9,16-17H2,1-2H3;10-13H,1-9,14-15H2;12-15H,1-11H2;11-14H,1-10H2;1-14H2;3-10,12-13H2,1-2H3;8H,4-7,11-12H2,1-3H3;1-12H2;9-11H,4-8H2,1-3H3;7-8H,1-6,9-10H2;9-10H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;1-10H2;8-9H,3-7H2,1-2H3;1-9H2;6,8H,3-5,7H2,1-2H3;6H,2-5,7-8H2,1H3;7-8H,3-6H2,1-2H3;8H,2-7H2,1H3;1-8H2;5,7H,1-4,6H2;3-4,6-7H2,1-2H3;6-7H,3-5H2,1-2H3;5,7H,3-4,6H2,1-2H3;7H,2-6H2,1H3;1-7H2;5-6H,3-4H2,1-2H3;3,5-6H2,1-2H3;2*6H,2-5H2,1H3;4H,2-3,5-6H2,1H3;1-6H2;5H,2-4H2,1H3;3H,2,4-5H2,1H3;1-5H2;1-4H2
InChIKeyVVWUNVHVLSZMGS-UHFFFAOYSA-N
MW4839.59 g/mol
LogP22.35
Rot. Bonds156

About 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine

4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine (PubChem CID 161414411) has the molecular formula C261H649N75 and a molecular weight of 4839.59 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine
PubChem CID161414411
Molecular FormulaC261H649N75
Molecular Weight4839.59 g/mol
Exact Mass4836.31
IUPAC Name4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine
SMILESC(CC1CCNCC1)CC1CCNCC1.C1CC(CCC2CCNCC2)CCN1.CC(C)(CN)CN.CC(C)(N)CN.CC(C)NCCCN.CC(C)NCCN.CC(CN)CCCN.CC(N)CN.CC1(C)CC(N)CC(C)(CN)C1.CC1CC(CC2CCC(N)C(C)C2)CCC1N.CCC(N)CN.CCCCC(CC)(CN)CCCN.CCCNCCCN.CCCNCCCNC(C)C.CCCNCCN.CCCNCCNC(C)C.CCNCCCNCC.CCNCCN.CCNCCNCC.CNCCCCCCN(C)CCCCCCNC.CNCCCCCCNC.CNCCCN.CNCCCNC.CNCCN.CNCCNC.NC1CCC(CC2CCC(N)CC2)CC1.NC1CCCNC1.NCC1CCCC(CN)C1.NCCCCCCCCCCCCN.NCCCCCCCCCCN.NCCCCCCCCN.NCCCCCCCN.NCCCCCCN.NCCCCCN.NCCCCN.NCCCN.NCCN
InChIInChI=1S/C15H35N3.C15H30N2.2C13H26N2.C12H24N2.C12H28N2.C11H26N2.C10H22N2.C10H24N2.C9H22N2.C8H18N2.3C8H20N2.2C7H18N2.5C6H16N2.C5H12N2.5C5H14N2.6C4H12N2.3C3H10N2.C2H8N2/c1-16-12-8-4-6-10-14-18(3)15-11-7-5-9-13-17-2;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;13-11-9-7-5-3-1-2-4-6-8-10-12-14;1-3-5-7-11(4-2,10-13)8-6-9-12;1-9(2)4-8(12)5-10(3,6-9)7-11;11-9-7-5-3-1-2-4-6-8-10-12;1-4-6-10-7-5-8-11-9(2)3;9-5-7-2-1-3-8(4-7)6-10;1-9-7-5-3-4-6-8-10-2;1-4-5-9-6-7-10-8(2)3;9-7-5-3-1-2-4-6-8-10;1-3-8-6-5-7-9-4-2;8-6-4-2-1-3-5-7-9;1-6(2)8-5-3-4-7;1-6(5-8)3-2-4-7;1-3-7-5-6-8-4-2;1-2-5-8-6-3-4-7;7-5-3-1-2-4-6-8;6-5-2-1-3-7-4-5;1-5(2,3-6)4-7;1-6-4-3-5-7-2;1-5(2)7-4-3-6;1-2-4-7-5-3-6;6-4-2-1-3-5-7;1-5-3-4-6-2;1-4(2,6)3-5;1-6-4-2-3-5;1-2-6-4-3-5;1-2-4(6)3-5;5-3-1-2-4-6;1-5-3-2-4;1-3(5)2-4;4-2-1-3-5;3-1-2-4/h16-17H,4-15H2,1-3H3;10-15H,3-9,16-17H2,1-2H3;10-13H,1-9,14-15H2;12-15H,1-11H2;11-14H,1-10H2;1-14H2;3-10,12-13H2,1-2H3;8H,4-7,11-12H2,1-3H3;1-12H2;9-11H,4-8H2,1-3H3;7-8H,1-6,9-10H2;9-10H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;1-10H2;8-9H,3-7H2,1-2H3;1-9H2;6,8H,3-5,7H2,1-2H3;6H,2-5,7-8H2,1H3;7-8H,3-6H2,1-2H3;8H,2-7H2,1H3;1-8H2;5,7H,1-4,6H2;3-4,6-7H2,1-2H3;6-7H,3-5H2,1-2H3;5,7H,3-4,6H2,1-2H3;7H,2-6H2,1H3;1-7H2;5-6H,3-4H2,1-2H3;3,5-6H2,1-2H3;2*6H,2-5H2,1H3;4H,2-3,5-6H2,1H3;1-6H2;5H,2-4H2,1H3;3H,2,4-5H2,1H3;1-5H2;1-4H2
InChIKeyVVWUNVHVLSZMGS-UHFFFAOYSA-N
XLogP22.35
TPSA1537.00 Ų
H-Bond Donors74
H-Bond Acceptors75
Rotatable Bonds156
Heavy Atoms336
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004839.59
LogP ≤ 522.35
H-Bond Donors ≤ 574
H-Bond Acceptors ≤ 1075

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine with MolForge

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What is the IUPAC name of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine?
The IUPAC name of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine (CID 161414411) is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine.
What is the SMILES notation for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine?
The canonical SMILES for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine is C(CC1CCNCC1)CC1CCNCC1.C1CC(CCC2CCNCC2)CCN1.CC(C)(CN)CN.CC(C)(N)CN.CC(C)NCCCN.CC(C)NCCN.CC(CN)CCCN.CC(N)CN.CC1(C)CC(N)CC(C)(CN)C1.CC1CC(CC2CCC(N)C(C)C2)CCC1N.CCC(N)CN.CCCCC(CC)(CN)CCCN.CCCNCCCN.CCCNCCCNC(C)C.CCCNCCN.CCCNCCNC(C)C.CCNCCCNCC.CCNCCN.CCNCCNCC.CNCCCCCCN(C)CCCCCCNC.CNCCCCCCNC.CNCCCN.CNCCCNC.CNCCN.CNCCNC.NC1CCC(CC2CCC(N)CC2)CC1.NC1CCCNC1.NCC1CCCC(CN)C1.NCCCCCCCCCCCCN.NCCCCCCCCCCN.NCCCCCCCCN.NCCCCCCCN.NCCCCCCN.NCCCCCN.NCCCCN.NCCCN.NCCN.
What is the InChIKey of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine?
The InChIKey is VVWUNVHVLSZMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3.C15H30N2.2C13H26N2.C12H24N2.C12H28N2.C11H26N2.C10H22N2.C10H24N2.C9H22N2.C8H18N2.3C8H20N2.2C7H18N2.5C6H16N2.C5H12N2.5C5H14N2.6C4H12N2.3C3H10N2.C2H8N2/c1-16-12-8-4-6-10-14-18(3)15-11-7-5-9-13-17-2;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;13-11-9-7-5-3-1-2-4-6-8-10-12-14;1-3-5-7-11(4-2,10-13)8-6-9-12;1-9(2)4-8(12)5-10(3,6-9)7-11;11-9-7-5-3-1-2-4-6-8-10-12;1-4-6-10-7-5-8-11-9(2)3;9-5-7-2-1-3-8(4-7)6-10;1-9-7-5-3-4-6-8-10-2;1-4-5-9-6-7-10-8(2)3;9-7-5-3-1-2-4-6-8-10;1-3-8-6-5-7-9-4-2;8-6-4-2-1-3-5-7-9;1-6(2)8-5-3-4-7;1-6(5-8)3-2-4-7;1-3-7-5-6-8-4-2;1-2-5-8-6-3-4-7;7-5-3-1-2-4-6-8;6-5-2-1-3-7-4-5;1-5(2,3-6)4-7;1-6-4-3-5-7-2;1-5(2)7-4-3-6;1-2-4-7-5-3-6;6-4-2-1-3-5-7;1-5-3-4-6-2;1-4(2,6)3-5;1-6-4-2-3-5;1-2-6-4-3-5;1-2-4(6)3-5;5-3-1-2-4-6;1-5-3-2-4;1-3(5)2-4;4-2-1-3-5;3-1-2-4/h16-17H,4-15H2,1-3H3;10-15H,3-9,16-17H2,1-2H3;10-13H,1-9,14-15H2;12-15H,1-11H2;11-14H,1-10H2;1-14H2;3-10,12-13H2,1-2H3;8H,4-7,11-12H2,1-3H3;1-12H2;9-11H,4-8H2,1-3H3;7-8H,1-6,9-10H2;9-10H,3-8H2,1-2H3;8-10H,4-7H2,1-3H3;1-10H2;8-9H,3-7H2,1-2H3;1-9H2;6,8H,3-5,7H2,1-2H3;6H,2-5,7-8H2,1H3;7-8H,3-6H2,1-2H3;8H,2-7H2,1H3;1-8H2;5,7H,1-4,6H2;3-4,6-7H2,1-2H3;6-7H,3-5H2,1-2H3;5,7H,3-4,6H2,1-2H3;7H,2-6H2,1H3;1-7H2;5-6H,3-4H2,1-2H3;3,5-6H2,1-2H3;2*6H,2-5H2,1H3;4H,2-3,5-6H2,1H3;1-6H2;5H,2-4H2,1H3;3H,2,4-5H2,1H3;1-5H2;1-4H2.
What are the key properties of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine?
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine has a molecular weight of 4839.59 g/mol, XLogP of 22.35, 156 rotatable bonds, 74 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;[3-(aminomethyl)cyclohexyl]methanamine;4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,2-diamine;butane-1,4-diamine;2-butyl-2-ethylpentane-1,5-diamine;decane-1,10-diamine;N,N'-diethylethane-1,2-diamine;N,N'-diethylpropane-1,3-diamine;N,N'-dimethylethane-1,2-diamine;N,N'-dimethylhexane-1,6-diamine;N,N'-dimethyl-N'-[6-(methylamino)hexyl]hexane-1,6-diamine;N,N'-dimethylpropane-1,3-diamine;2,2-dimethylpropane-1,3-diamine;dodecane-1,12-diamine;ethane-1,2-diamine;N'-ethylethane-1,2-diamine;heptane-1,7-diamine;hexane-1,6-diamine;N'-methylethane-1,2-diamine;2-methylpentane-1,5-diamine;N'-methylpropane-1,3-diamine;2-methylpropane-1,2-diamine;octane-1,8-diamine;pentane-1,5-diamine;piperidin-3-amine;4-(2-piperidin-4-ylethyl)piperidine;4-(3-piperidin-4-ylpropyl)piperidine;propane-1,2-diamine;propane-1,3-diamine;N'-propan-2-ylethane-1,2-diamine;N'-propan-2-ylpropane-1,3-diamine;N'-propan-2-yl-N-propylethane-1,2-diamine;N'-propan-2-yl-N-propylpropane-1,3-diamine;N'-propylethane-1,2-diamine;N'-propylpropane-1,3-diamine is sourced from PubChem (CID 161414411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).