1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine

C18H37N3 — CID 170283505

IUPAC1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine
SMILESCC(NC(C)C1CCCC(CN)C1)C1CCCC(CN)C1
InChIInChI=1S/C18H37N3/c1-13(17-7-3-5-15(9-17)11-19)21-14(2)18-8-4-6-16(10-18)12-20/h13-18,21H,3-12,19-20H2,1-2H3
InChIKeyPOXFMHWRPMBCJL-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.88
Rot. Bonds6

About 1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine

1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine (PubChem CID 170283505) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine
PubChem CID170283505
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine
SMILESCC(NC(C)C1CCCC(CN)C1)C1CCCC(CN)C1
InChIInChI=1S/C18H37N3/c1-13(17-7-3-5-15(9-17)11-19)21-14(2)18-8-4-6-16(10-18)12-20/h13-18,21H,3-12,19-20H2,1-2H3
InChIKeyPOXFMHWRPMBCJL-UHFFFAOYSA-N
XLogP2.88
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
CID 170046729
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
(3-propan-2-ylcyclopentyl)methanamine
CID 55290681
1-cyclobutyl-N-(1-cyclopentylethyl)propan-2-amine
CID 115720167
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
(3-methylcyclohexyl)methanamine
CID 18361468
N-(1-cyclobutylethyl)-1-cyclopropylpropan-2-amine
CID 115719713
N-[[3-(aminomethyl)cyclohexyl]methyl]-N-(2,4-dimethylpentan-3-yl)-2,4-dimethylpentan-3-amine
CID 68744970
1-cyclobutylethylhydrazine
CID 55281385
ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine
CID 142040832
2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
CID 142152689
N-(1-cyclopentylethyl)propan-2-amine
CID 59833137

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine?
The IUPAC name of 1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine (CID 170283505) is 1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine.
What is the SMILES notation for 1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine?
The canonical SMILES for 1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine is CC(NC(C)C1CCCC(CN)C1)C1CCCC(CN)C1.
What is the InChIKey of 1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine?
The InChIKey is POXFMHWRPMBCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-13(17-7-3-5-15(9-17)11-19)21-14(2)18-8-4-6-16(10-18)12-20/h13-18,21H,3-12,19-20H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine?
1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine has a molecular weight of 295.51 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)cyclohexyl]-N-[1-[3-(aminomethyl)cyclohexyl]ethyl]ethanamine is sourced from PubChem (CID 170283505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).