3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine

C15H30N2 — CID 79618405

IUPAC3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine
SMILESCCC1CCCN(C2CCCC(NC)C2)CC1
InChIInChI=1S/C15H30N2/c1-3-13-6-5-10-17(11-9-13)15-8-4-7-14(12-15)16-2/h13-16H,3-12H2,1-2H3
InChIKeyJXDVIIKPEDJHPM-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds3

About 3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine

3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine (PubChem CID 79618405) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine
PubChem CID79618405
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine
SMILESCCC1CCCN(C2CCCC(NC)C2)CC1
InChIInChI=1S/C15H30N2/c1-3-13-6-5-10-17(11-9-13)15-8-4-7-14(12-15)16-2/h13-16H,3-12H2,1-2H3
InChIKeyJXDVIIKPEDJHPM-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine (CID 79618405) is 3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine is CCC1CCCN(C2CCCC(NC)C2)CC1.
What is the InChIKey of 3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine?
The InChIKey is JXDVIIKPEDJHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-13-6-5-10-17(11-9-13)15-8-4-7-14(12-15)16-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine?
3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 79618405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).