1-cyclopentylazepane

C11H21N — CID 23151197

IUPAC1-cyclopentylazepane
SMILESC1CCCN(C2CCCC2)CC1
InChIInChI=1S/C11H21N/c1-2-6-10-12(9-5-1)11-7-3-4-8-11/h11H,1-10H2
InChIKeyQSUANCLKGCNCMM-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.81
Rot. Bonds1

About 1-cyclopentylazepane

1-cyclopentylazepane (PubChem CID 23151197) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-cyclopentylazepane.

Molecular Properties

Compound Name1-cyclopentylazepane
PubChem CID23151197
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-cyclopentylazepane
SMILESC1CCCN(C2CCCC2)CC1
InChIInChI=1S/C11H21N/c1-2-6-10-12(9-5-1)11-7-3-4-8-11/h11H,1-10H2
InChIKeyQSUANCLKGCNCMM-UHFFFAOYSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylazepane?
The IUPAC name of 1-cyclopentylazepane (CID 23151197) is 1-cyclopentylazepane.
What is the SMILES notation for 1-cyclopentylazepane?
The canonical SMILES for 1-cyclopentylazepane is C1CCCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentylazepane?
The InChIKey is QSUANCLKGCNCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-6-10-12(9-5-1)11-7-3-4-8-11/h11H,1-10H2.
What are the key properties of 1-cyclopentylazepane?
1-cyclopentylazepane has a molecular weight of 167.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylazepane is sourced from PubChem (CID 23151197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).