2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine

C16H32N2 — CID 113441646

IUPAC2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine
SMILESCCC1CCCCCN1C1CCCCCC1NC
InChIInChI=1S/C16H32N2/c1-3-14-10-6-5-9-13-18(14)16-12-8-4-7-11-15(16)17-2/h14-17H,3-13H2,1-2H3
InChIKeyGHUMCOMYLQKSMY-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.56
Rot. Bonds3

About 2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine

2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine (PubChem CID 113441646) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine
PubChem CID113441646
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine
SMILESCCC1CCCCCN1C1CCCCCC1NC
InChIInChI=1S/C16H32N2/c1-3-14-10-6-5-9-13-18(14)16-12-8-4-7-11-15(16)17-2/h14-17H,3-13H2,1-2H3
InChIKeyGHUMCOMYLQKSMY-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 104689600
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N-methylcyclopentan-1-amine
CID 114086704
N-methyl-2-(2-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63464938
2-(2-ethylpiperidin-1-yl)cyclododecan-1-amine
CID 43266440
2-(2-ethylpiperidin-1-yl)cyclohexan-1-amine
CID 43266460
trans-(1S,2S)-2-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 102731877
trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
CID 70351898
N-propyl-2-(2-propylpiperidin-1-yl)cycloheptan-1-amine
CID 83052554
2-(2-ethylpiperidin-1-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64723403
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylcyclohexan-1-amine
CID 65320543
N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine
CID 104689498
6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol
CID 113441899

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine (CID 113441646) is 2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine is CCC1CCCCCN1C1CCCCCC1NC.
What is the InChIKey of 2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine?
The InChIKey is GHUMCOMYLQKSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-14-10-6-5-9-13-18(14)16-12-8-4-7-11-15(16)17-2/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine?
2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 113441646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).