2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine

C18H36N2 — CID 64736211

IUPAC2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1CN1CCCCCC1
InChIInChI=1S/C18H36N2/c1-4-9-19-18-13-15(2)12-16(3)17(18)14-20-10-7-5-6-8-11-20/h15-19H,4-14H2,1-3H3
InChIKeyOQPRWYNZADUCJX-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds5

About 2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine

2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64736211) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64736211
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1CN1CCCCCC1
InChIInChI=1S/C18H36N2/c1-4-9-19-18-13-15(2)12-16(3)17(18)14-20-10-7-5-6-8-11-20/h15-19H,4-14H2,1-3H3
InChIKeyOQPRWYNZADUCJX-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736014
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115561997
N,3,5-trimethyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 64737195
1-[1-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967290
N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 64736598
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736016
3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 64735235
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735640
N-ethyl-2-[(3-methoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967402
2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64723017

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64736211) is 2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is OQPRWYNZADUCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-9-19-18-13-15(2)12-16(3)17(18)14-20-10-7-5-6-8-11-20/h15-19H,4-14H2,1-3H3.
What are the key properties of 2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 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)-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64736211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).