7-(cyclopentylmethyl)-4-methyl-2H-azepine

C13H19N — CID 155471571

IUPAC7-(cyclopentylmethyl)-4-methyl-2H-azepine
SMILESCC1=CCN=C(CC2CCCC2)C=C1
InChIInChI=1S/C13H19N/c1-11-6-7-13(14-9-8-11)10-12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3
InChIKeyDXOJOOWPYQIDSH-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.52
Rot. Bonds2

About 7-(cyclopentylmethyl)-4-methyl-2H-azepine

7-(cyclopentylmethyl)-4-methyl-2H-azepine (PubChem CID 155471571) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 7-(cyclopentylmethyl)-4-methyl-2H-azepine.

Molecular Properties

Compound Name7-(cyclopentylmethyl)-4-methyl-2H-azepine
PubChem CID155471571
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name7-(cyclopentylmethyl)-4-methyl-2H-azepine
SMILESCC1=CCN=C(CC2CCCC2)C=C1
InChIInChI=1S/C13H19N/c1-11-6-7-13(14-9-8-11)10-12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3
InChIKeyDXOJOOWPYQIDSH-UHFFFAOYSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylmethyl)-4-methyl-2H-azepine?
The IUPAC name of 7-(cyclopentylmethyl)-4-methyl-2H-azepine (CID 155471571) is 7-(cyclopentylmethyl)-4-methyl-2H-azepine.
What is the SMILES notation for 7-(cyclopentylmethyl)-4-methyl-2H-azepine?
The canonical SMILES for 7-(cyclopentylmethyl)-4-methyl-2H-azepine is CC1=CCN=C(CC2CCCC2)C=C1.
What is the InChIKey of 7-(cyclopentylmethyl)-4-methyl-2H-azepine?
The InChIKey is DXOJOOWPYQIDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11-6-7-13(14-9-8-11)10-12-4-2-3-5-12/h6-8,12H,2-5,9-10H2,1H3.
What are the key properties of 7-(cyclopentylmethyl)-4-methyl-2H-azepine?
7-(cyclopentylmethyl)-4-methyl-2H-azepine has a molecular weight of 189.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylmethyl)-4-methyl-2H-azepine is sourced from PubChem (CID 155471571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).