2-cyclohexyl-2-propylazepane

C15H29N — CID 79119253

IUPAC2-cyclohexyl-2-propylazepane
SMILESCCCC1(C2CCCCC2)CCCCCN1
InChIInChI=1S/C15H29N/c1-2-11-15(12-7-4-8-13-16-15)14-9-5-3-6-10-14/h14,16H,2-13H2,1H3
InChIKeyKCSXLUDZNBSGIA-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.27
Rot. Bonds3

About 2-cyclohexyl-2-propylazepane

2-cyclohexyl-2-propylazepane (PubChem CID 79119253) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-propylazepane.

Molecular Properties

Compound Name2-cyclohexyl-2-propylazepane
PubChem CID79119253
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-cyclohexyl-2-propylazepane
SMILESCCCC1(C2CCCCC2)CCCCCN1
InChIInChI=1S/C15H29N/c1-2-11-15(12-7-4-8-13-16-15)14-9-5-3-6-10-14/h14,16H,2-13H2,1H3
InChIKeyKCSXLUDZNBSGIA-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-propylazepane?
The IUPAC name of 2-cyclohexyl-2-propylazepane (CID 79119253) is 2-cyclohexyl-2-propylazepane.
What is the SMILES notation for 2-cyclohexyl-2-propylazepane?
The canonical SMILES for 2-cyclohexyl-2-propylazepane is CCCC1(C2CCCCC2)CCCCCN1.
What is the InChIKey of 2-cyclohexyl-2-propylazepane?
The InChIKey is KCSXLUDZNBSGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-2-11-15(12-7-4-8-13-16-15)14-9-5-3-6-10-14/h14,16H,2-13H2,1H3.
What are the key properties of 2-cyclohexyl-2-propylazepane?
2-cyclohexyl-2-propylazepane has a molecular weight of 223.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-propylazepane is sourced from PubChem (CID 79119253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).