2-(4-ethylcyclohexyl)-2-methylazepane

C15H29N — CID 79118167

IUPAC2-(4-ethylcyclohexyl)-2-methylazepane
SMILESCCC1CCC(C2(C)CCCCCN2)CC1
InChIInChI=1S/C15H29N/c1-3-13-7-9-14(10-8-13)15(2)11-5-4-6-12-16-15/h13-14,16H,3-12H2,1-2H3
InChIKeyMWUCNKAWHWVXKD-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.13
Rot. Bonds2

About 2-(4-ethylcyclohexyl)-2-methylazepane

2-(4-ethylcyclohexyl)-2-methylazepane (PubChem CID 79118167) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-2-methylazepane.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-2-methylazepane
PubChem CID79118167
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-(4-ethylcyclohexyl)-2-methylazepane
SMILESCCC1CCC(C2(C)CCCCCN2)CC1
InChIInChI=1S/C15H29N/c1-3-13-7-9-14(10-8-13)15(2)11-5-4-6-12-16-15/h13-14,16H,3-12H2,1-2H3
InChIKeyMWUCNKAWHWVXKD-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-2-methylazepane?
The IUPAC name of 2-(4-ethylcyclohexyl)-2-methylazepane (CID 79118167) is 2-(4-ethylcyclohexyl)-2-methylazepane.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-2-methylazepane?
The canonical SMILES for 2-(4-ethylcyclohexyl)-2-methylazepane is CCC1CCC(C2(C)CCCCCN2)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-2-methylazepane?
The InChIKey is MWUCNKAWHWVXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-3-13-7-9-14(10-8-13)15(2)11-5-4-6-12-16-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-(4-ethylcyclohexyl)-2-methylazepane?
2-(4-ethylcyclohexyl)-2-methylazepane has a molecular weight of 223.40 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-2-methylazepane is sourced from PubChem (CID 79118167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).