2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine

C17H34N2 — CID 62616400

IUPAC2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(CN2CCCCCC2)C1
InChIInChI=1S/C17H34N2/c1-3-8-15-9-10-17(18-2)16(13-15)14-19-11-6-4-5-7-12-19/h15-18H,3-14H2,1-2H3
InChIKeyMSNZEOXHHVEYEO-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds5

About 2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine

2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 62616400) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
PubChem CID62616400
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(CN2CCCCCC2)C1
InChIInChI=1S/C17H34N2/c1-3-8-15-9-10-17(18-2)16(13-15)14-19-11-6-4-5-7-12-19/h15-18H,3-14H2,1-2H3
InChIKeyMSNZEOXHHVEYEO-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 62611262
4-ethyl-N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 55249988
1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 62614801
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl]piperidin-3-ol
CID 62608959
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
4-ethyl-N-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 62610320
1-N,2-N-dimethyl-4-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206871
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727245
4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 104691985
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine (CID 62616400) is 2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(CN2CCCCCC2)C1.
What is the InChIKey of 2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is MSNZEOXHHVEYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-8-15-9-10-17(18-2)16(13-15)14-19-11-6-4-5-7-12-19/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine?
2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 5 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-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62616400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).