2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine

C16H32N2 — CID 62616066

IUPAC2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN1CCCCCC1
InChIInChI=1S/C16H32N2/c1-3-17-16-9-8-14(2)12-15(16)13-18-10-6-4-5-7-11-18/h14-17H,3-13H2,1-2H3
InChIKeyBGIDFASZJNWQRL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds4

About 2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine

2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 62616066) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID62616066
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN1CCCCCC1
InChIInChI=1S/C16H32N2/c1-3-17-16-9-8-14(2)12-15(16)13-18-10-6-4-5-7-11-18/h14-17H,3-13H2,1-2H3
InChIKeyBGIDFASZJNWQRL-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine with MolForge

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Related Compounds

4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine
CID 62972825
2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 65282251
N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
N-ethyl-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-amine
CID 66371197
[1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol
CID 55094284
N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine
CID 64581779
N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63620914
N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63623409
2-[(4,4-dimethylpiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63495442
1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474572
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62609331

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine (CID 62616066) is 2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is BGIDFASZJNWQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-17-16-9-8-14(2)12-15(16)13-18-10-6-4-5-7-11-18/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62616066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).