[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine

C16H32N2 — CID 104690353

IUPAC[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
SMILESCCC1CCCCCN1CC1CCC(CN)CC1
InChIInChI=1S/C16H32N2/c1-2-16-6-4-3-5-11-18(16)13-15-9-7-14(12-17)8-10-15/h14-16H,2-13,17H2,1H3
InChIKeyPILNKJSBIODSHX-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.41
Rot. Bonds4

About [4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine

[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine (PubChem CID 104690353) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
PubChem CID104690353
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
SMILESCCC1CCCCCN1CC1CCC(CN)CC1
InChIInChI=1S/C16H32N2/c1-2-16-6-4-3-5-11-18(16)13-15-9-7-14(12-17)8-10-15/h14-16H,2-13,17H2,1H3
InChIKeyPILNKJSBIODSHX-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine
CID 104690414
[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690316
2-(bromomethyl)-1-(cyclopropylmethyl)azepane
CID 116638384
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
1,2-diethylpiperidine
CID 19604037
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
1-[1-(cyclopropylmethyl)piperidin-2-yl]-N-methylmethanamine
CID 62541663
3-[(2-ethylpiperidin-1-yl)methyl]-1-methylpiperidin-4-amine
CID 82171534
4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 104691985
2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine
CID 104689096

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine (CID 104690353) is [4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine is CCC1CCCCCN1CC1CCC(CN)CC1.
What is the InChIKey of [4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine?
The InChIKey is PILNKJSBIODSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-16-6-4-3-5-11-18(16)13-15-9-7-14(12-17)8-10-15/h14-16H,2-13,17H2,1H3.
What are the key properties of [4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine?
[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 104690353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).