7-propyl-3H-azepine

C9H13N — CID 14610141

IUPAC7-propyl-3H-azepine
SMILESCCCC1=CC=CCC=N1
InChIInChI=1S/C9H13N/c1-2-6-9-7-4-3-5-8-10-9/h3-4,7-8H,2,5-6H2,1H3
InChIKeyFJRDSJYWYUYRJA-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.70
Rot. Bonds2

About 7-propyl-3H-azepine

7-propyl-3H-azepine (PubChem CID 14610141) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 7-propyl-3H-azepine.

Molecular Properties

Compound Name7-propyl-3H-azepine
PubChem CID14610141
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name7-propyl-3H-azepine
SMILESCCCC1=CC=CCC=N1
InChIInChI=1S/C9H13N/c1-2-6-9-7-4-3-5-8-10-9/h3-4,7-8H,2,5-6H2,1H3
InChIKeyFJRDSJYWYUYRJA-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-3H-azepine?
The IUPAC name of 7-propyl-3H-azepine (CID 14610141) is 7-propyl-3H-azepine.
What is the SMILES notation for 7-propyl-3H-azepine?
The canonical SMILES for 7-propyl-3H-azepine is CCCC1=CC=CCC=N1.
What is the InChIKey of 7-propyl-3H-azepine?
The InChIKey is FJRDSJYWYUYRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-6-9-7-4-3-5-8-10-9/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 7-propyl-3H-azepine?
7-propyl-3H-azepine has a molecular weight of 135.21 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-3H-azepine is sourced from PubChem (CID 14610141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).