5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine

C12H19N — CID 163556318

IUPAC5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine
SMILESCC1CCC(C2CCCC2)=CC=N1
InChIInChI=1S/C12H19N/c1-10-6-7-12(8-9-13-10)11-4-2-3-5-11/h8-11H,2-7H2,1H3
InChIKeyFNJAOWOTNKXBMX-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.36
Rot. Bonds1

About 5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine

5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine (PubChem CID 163556318) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine
PubChem CID163556318
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine
SMILESCC1CCC(C2CCCC2)=CC=N1
InChIInChI=1S/C12H19N/c1-10-6-7-12(8-9-13-10)11-4-2-3-5-11/h8-11H,2-7H2,1H3
InChIKeyFNJAOWOTNKXBMX-UHFFFAOYSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine?
The IUPAC name of 5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine (CID 163556318) is 5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine.
What is the SMILES notation for 5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine?
The canonical SMILES for 5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine is CC1CCC(C2CCCC2)=CC=N1.
What is the InChIKey of 5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine?
The InChIKey is FNJAOWOTNKXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10-6-7-12(8-9-13-10)11-4-2-3-5-11/h8-11H,2-7H2,1H3.
What are the key properties of 5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine?
5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine has a molecular weight of 177.29 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-methyl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 163556318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).