[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine

C17H34N2 — CID 134168481

IUPAC[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
SMILESCCC1CCC(CNCC2CCC(CN)CC2)CC1
InChIInChI=1S/C17H34N2/c1-2-14-3-7-16(8-4-14)12-19-13-17-9-5-15(11-18)6-10-17/h14-17,19H,2-13,18H2,1H3
InChIKeyLFALRKDUHAQFCJ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.56
Rot. Bonds6

About [4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine

[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine (PubChem CID 134168481) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
PubChem CID134168481
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
SMILESCCC1CCC(CNCC2CCC(CN)CC2)CC1
InChIInChI=1S/C17H34N2/c1-2-14-3-7-16(8-4-14)12-19-13-17-9-5-15(11-18)6-10-17/h14-17,19H,2-13,18H2,1H3
InChIKeyLFALRKDUHAQFCJ-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
ethanamine;ethylcyclopropane
CID 70018487
methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-(ethylaminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 158090259
2-aminoacetic acid;ethylcyclopropane
CID 144543522
N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine
CID 142934377
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine
CID 143996917
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
CID 60971732
N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 62139739

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine (CID 134168481) is [4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine is CCC1CCC(CNCC2CCC(CN)CC2)CC1.
What is the InChIKey of [4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine?
The InChIKey is LFALRKDUHAQFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-2-14-3-7-16(8-4-14)12-19-13-17-9-5-15(11-18)6-10-17/h14-17,19H,2-13,18H2,1H3.
What are the key properties of [4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine?
[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 134168481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).