4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine

C62H94N6 — CID 160577590

IUPAC4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine
SMILESCC1CCC(CC2CCC(N)C(C)C2)CC1C.CC1CCCC(CN)C1.NC1CCC(CC2CCC(N)CC2)CC1.Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C25H20N2.C16H31N.C13H26N2.C8H17N/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1-11-4-5-14(8-12(11)2)10-15-6-7-16(17)13(3)9-15;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1-7-3-2-4-8(5-7)6-9/h1-16H,26-27H2;11-16H,4-10,17H2,1-3H3;10-13H,1-9,14-15H2;7-8H,2-6,9H2,1H3
InChIKeyRBIVNWXGLXIYIA-UHFFFAOYSA-N
MW923.48 g/mol
LogP13.61
Rot. Bonds7

About 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine

4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine (PubChem CID 160577590) has the molecular formula C62H94N6 and a molecular weight of 923.48 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine
PubChem CID160577590
Molecular FormulaC62H94N6
Molecular Weight923.48 g/mol
Exact Mass922.75
IUPAC Name4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine
SMILESCC1CCC(CC2CCC(N)C(C)C2)CC1C.CC1CCCC(CN)C1.NC1CCC(CC2CCC(N)CC2)CC1.Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C25H20N2.C16H31N.C13H26N2.C8H17N/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1-11-4-5-14(8-12(11)2)10-15-6-7-16(17)13(3)9-15;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1-7-3-2-4-8(5-7)6-9/h1-16H,26-27H2;11-16H,4-10,17H2,1-3H3;10-13H,1-9,14-15H2;7-8H,2-6,9H2,1H3
InChIKeyRBIVNWXGLXIYIA-UHFFFAOYSA-N
XLogP13.61
TPSA156.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.48
LogP ≤ 513.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine?
The IUPAC name of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine (CID 160577590) is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine?
The canonical SMILES for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine is CC1CCC(CC2CCC(N)C(C)C2)CC1C.CC1CCCC(CN)C1.NC1CCC(CC2CCC(N)CC2)CC1.Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine?
The InChIKey is RBIVNWXGLXIYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2.C16H31N.C13H26N2.C8H17N/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1-11-4-5-14(8-12(11)2)10-15-6-7-16(17)13(3)9-15;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;1-7-3-2-4-8(5-7)6-9/h1-16H,26-27H2;11-16H,4-10,17H2,1-3H3;10-13H,1-9,14-15H2;7-8H,2-6,9H2,1H3.
What are the key properties of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine?
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine has a molecular weight of 923.48 g/mol, XLogP of 13.61, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;4-[9-(4-aminophenyl)fluoren-9-yl]aniline;4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 160577590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).