4-(5-aminopentyl)-1,4-diazepan-2-one

C10H21N3O — CID 65361478

IUPAC4-(5-aminopentyl)-1,4-diazepan-2-one
SMILESNCCCCCN1CCCNC(=O)C1
InChIInChI=1S/C10H21N3O/c11-5-2-1-3-7-13-8-4-6-12-10(14)9-13/h1-9,11H2,(H,12,14)
InChIKeyPFHUCTLGPJYUCZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.06
Rot. Bonds5

About 4-(5-aminopentyl)-1,4-diazepan-2-one

4-(5-aminopentyl)-1,4-diazepan-2-one (PubChem CID 65361478) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(5-aminopentyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(5-aminopentyl)-1,4-diazepan-2-one
PubChem CID65361478
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(5-aminopentyl)-1,4-diazepan-2-one
SMILESNCCCCCN1CCCNC(=O)C1
InChIInChI=1S/C10H21N3O/c11-5-2-1-3-7-13-8-4-6-12-10(14)9-13/h1-9,11H2,(H,12,14)
InChIKeyPFHUCTLGPJYUCZ-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(5-aminopentyl)-1,4-diazepan-2-one 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 4-(5-aminopentyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(5-aminopentyl)-1,4-diazepan-2-one (CID 65361478) is 4-(5-aminopentyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(5-aminopentyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(5-aminopentyl)-1,4-diazepan-2-one is NCCCCCN1CCCNC(=O)C1.
What is the InChIKey of 4-(5-aminopentyl)-1,4-diazepan-2-one?
The InChIKey is PFHUCTLGPJYUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c11-5-2-1-3-7-13-8-4-6-12-10(14)9-13/h1-9,11H2,(H,12,14).
What are the key properties of 4-(5-aminopentyl)-1,4-diazepan-2-one?
4-(5-aminopentyl)-1,4-diazepan-2-one has a molecular weight of 199.30 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentyl)-1,4-diazepan-2-one is sourced from PubChem (CID 65361478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).