1-(cyclopentylmethyl)azepane

C12H23N — CID 82075104

IUPAC1-(cyclopentylmethyl)azepane
SMILESC1CCCN(CC2CCCC2)CC1
InChIInChI=1S/C12H23N/c1-2-6-10-13(9-5-1)11-12-7-3-4-8-12/h12H,1-11H2
InChIKeyJLDCQSJRVBPHOJ-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds2

About 1-(cyclopentylmethyl)azepane

1-(cyclopentylmethyl)azepane (PubChem CID 82075104) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)azepane.

Molecular Properties

Compound Name1-(cyclopentylmethyl)azepane
PubChem CID82075104
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(cyclopentylmethyl)azepane
SMILESC1CCCN(CC2CCCC2)CC1
InChIInChI=1S/C12H23N/c1-2-6-10-13(9-5-1)11-12-7-3-4-8-12/h12H,1-11H2
InChIKeyJLDCQSJRVBPHOJ-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)azepane?
The IUPAC name of 1-(cyclopentylmethyl)azepane (CID 82075104) is 1-(cyclopentylmethyl)azepane.
What is the SMILES notation for 1-(cyclopentylmethyl)azepane?
The canonical SMILES for 1-(cyclopentylmethyl)azepane is C1CCCN(CC2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentylmethyl)azepane?
The InChIKey is JLDCQSJRVBPHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-6-10-13(9-5-1)11-12-7-3-4-8-12/h12H,1-11H2.
What are the key properties of 1-(cyclopentylmethyl)azepane?
1-(cyclopentylmethyl)azepane has a molecular weight of 181.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)azepane is sourced from PubChem (CID 82075104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).