3-(azepan-1-yl)propanehydrazide

C9H19N3O — CID 774287

IUPAC3-(azepan-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CCCCCC1
InChIInChI=1S/C9H19N3O/c10-11-9(13)5-8-12-6-3-1-2-4-7-12/h1-8,10H2,(H,11,13)
InChIKeyKNZVTVVLCVUNHT-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.24
Rot. Bonds3

About 3-(azepan-1-yl)propanehydrazide

3-(azepan-1-yl)propanehydrazide (PubChem CID 774287) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(azepan-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(azepan-1-yl)propanehydrazide
PubChem CID774287
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(azepan-1-yl)propanehydrazide
SMILESNNC(=O)CCN1CCCCCC1
InChIInChI=1S/C9H19N3O/c10-11-9(13)5-8-12-6-3-1-2-4-7-12/h1-8,10H2,(H,11,13)
InChIKeyKNZVTVVLCVUNHT-UHFFFAOYSA-N
XLogP0.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(azepan-1-yl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)propanehydrazide?
The IUPAC name of 3-(azepan-1-yl)propanehydrazide (CID 774287) is 3-(azepan-1-yl)propanehydrazide.
What is the SMILES notation for 3-(azepan-1-yl)propanehydrazide?
The canonical SMILES for 3-(azepan-1-yl)propanehydrazide is NNC(=O)CCN1CCCCCC1.
What is the InChIKey of 3-(azepan-1-yl)propanehydrazide?
The InChIKey is KNZVTVVLCVUNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-11-9(13)5-8-12-6-3-1-2-4-7-12/h1-8,10H2,(H,11,13).
What are the key properties of 3-(azepan-1-yl)propanehydrazide?
3-(azepan-1-yl)propanehydrazide has a molecular weight of 185.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)propanehydrazide is sourced from PubChem (CID 774287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).