1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine

C83H191N19 — CID 159594010

IUPAC1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
SMILESCC(C)(C)CCNC1CCCCC1NCCC(C)(C)C.CC1CCCCN1CCCN.CCC(CN(C)C)N(C)C.CCN(CC)CC(C)N(CC)CC.CN(C)CCN(C)C.CN(C)CCN(C)CCN(C)C.CN1CCCC1CN.CN1CCCC1CN1CCCC1.NCCN1CCCC1
InChIInChI=1S/C18H38N2.C11H26N2.C10H20N2.C9H23N3.C9H20N2.C8H20N2.2C6H14N2.C6H16N2/c1-17(2,3)11-13-19-15-9-7-8-10-16(15)20-14-12-18(4,5)6;1-6-12(7-2)10-11(5)13(8-3)9-4;1-11-6-4-5-10(11)9-12-7-2-3-8-12;1-10(2)6-8-12(5)9-7-11(3)4;1-9-5-2-3-7-11(9)8-4-6-10;1-6-8(10(4)5)7-9(2)3;1-8-4-2-3-6(8)5-7;7-3-6-8-4-1-2-5-8;1-7(2)5-6-8(3)4/h15-16,19-20H,7-14H2,1-6H3;11H,6-10H2,1-5H3;10H,2-9H2,1H3;6-9H2,1-5H3;9H,2-8,10H2,1H3;8H,6-7H2,1-5H3;6H,2-5,7H2,1H3;1-7H2;5-6H2,1-4H3
InChIKeyMKPGKOQGCHKJGI-UHFFFAOYSA-N
MW1455.57 g/mol
LogP9.91
Rot. Bonds34

About 1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine

1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine (PubChem CID 159594010) has the molecular formula C83H191N19 and a molecular weight of 1455.57 g/mol. Its IUPAC name is 1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
PubChem CID159594010
Molecular FormulaC83H191N19
Molecular Weight1455.57 g/mol
Exact Mass1454.55
IUPAC Name1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
SMILESCC(C)(C)CCNC1CCCCC1NCCC(C)(C)C.CC1CCCCN1CCCN.CCC(CN(C)C)N(C)C.CCN(CC)CC(C)N(CC)CC.CN(C)CCN(C)C.CN(C)CCN(C)CCN(C)C.CN1CCCC1CN.CN1CCCC1CN1CCCC1.NCCN1CCCC1
InChIInChI=1S/C18H38N2.C11H26N2.C10H20N2.C9H23N3.C9H20N2.C8H20N2.2C6H14N2.C6H16N2/c1-17(2,3)11-13-19-15-9-7-8-10-16(15)20-14-12-18(4,5)6;1-6-12(7-2)10-11(5)13(8-3)9-4;1-11-6-4-5-10(11)9-12-7-2-3-8-12;1-10(2)6-8-12(5)9-7-11(3)4;1-9-5-2-3-7-11(9)8-4-6-10;1-6-8(10(4)5)7-9(2)3;1-8-4-2-3-6(8)5-7;7-3-6-8-4-1-2-5-8;1-7(2)5-6-8(3)4/h15-16,19-20H,7-14H2,1-6H3;11H,6-10H2,1-5H3;10H,2-9H2,1H3;6-9H2,1-5H3;9H,2-8,10H2,1H3;8H,6-7H2,1-5H3;6H,2-5,7H2,1H3;1-7H2;5-6H2,1-4H3
InChIKeyMKPGKOQGCHKJGI-UHFFFAOYSA-N
XLogP9.91
TPSA147.48 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds34
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001455.57
LogP ≤ 59.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine with MolForge

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Related Compounds

N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine
CID 159161176
N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine;1-ethyl-4-methylpiperidine;(1-ethylpyrrolidin-2-yl)methanamine;3-(2-methylpiperidin-1-yl)propan-1-amine;2-(2-methylpyrrolidin-1-yl)ethanamine;3-pyrrolidin-1-ylpropan-1-amine
CID 160915497
(3R)-1-N-methylbutane-1,3-diamine;[(2R)-piperidin-2-yl]methanamine;[(2S)-piperidin-2-yl]methanamine;2-[(2S)-pyrrolidin-2-yl]ethanamine;2-[(2R)-pyrrolidin-2-yl]ethanamine;[(2S)-pyrrolidin-2-yl]methanamine;[(2R)-pyrrolidin-2-yl]methanamine
CID 162226340
2-[4-[(3-Pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidin-3-yl]-2,7-diazaspiro[4.4]nonane
CID 82565108

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine (CID 159594010) is 1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine is CC(C)(C)CCNC1CCCCC1NCCC(C)(C)C.CC1CCCCN1CCCN.CCC(CN(C)C)N(C)C.CCN(CC)CC(C)N(CC)CC.CN(C)CCN(C)C.CN(C)CCN(C)CCN(C)C.CN1CCCC1CN.CN1CCCC1CN1CCCC1.NCCN1CCCC1.
What is the InChIKey of 1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine?
The InChIKey is MKPGKOQGCHKJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2.C11H26N2.C10H20N2.C9H23N3.C9H20N2.C8H20N2.2C6H14N2.C6H16N2/c1-17(2,3)11-13-19-15-9-7-8-10-16(15)20-14-12-18(4,5)6;1-6-12(7-2)10-11(5)13(8-3)9-4;1-11-6-4-5-10(11)9-12-7-2-3-8-12;1-10(2)6-8-12(5)9-7-11(3)4;1-9-5-2-3-7-11(9)8-4-6-10;1-6-8(10(4)5)7-9(2)3;1-8-4-2-3-6(8)5-7;7-3-6-8-4-1-2-5-8;1-7(2)5-6-8(3)4/h15-16,19-20H,7-14H2,1-6H3;11H,6-10H2,1-5H3;10H,2-9H2,1H3;6-9H2,1-5H3;9H,2-8,10H2,1H3;8H,6-7H2,1-5H3;6H,2-5,7H2,1H3;1-7H2;5-6H2,1-4H3.
What are the key properties of 1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine?
1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine has a molecular weight of 1455.57 g/mol, XLogP of 9.91, 34 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;3-(2-methylpiperidin-1-yl)propan-1-amine;(1-methylpyrrolidin-2-yl)methanamine;1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-pyrrolidin-1-ylethanamine;1-N,1-N,2-N,2-N-tetraethylpropane-1,2-diamine;1-N,1-N,2-N,2-N-tetramethylbutane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine is sourced from PubChem (CID 159594010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).