3-(butylamino)propanehydrazide

C7H17N3O — CID 132887995

IUPAC3-(butylamino)propanehydrazide
SMILESCCCCNCCC(=O)NN
InChIInChI=1S/C7H17N3O/c1-2-3-5-9-6-4-7(11)10-8/h9H,2-6,8H2,1H3,(H,10,11)
InChIKeySDXUXWCDVXOKFA-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.24
Rot. Bonds6

About 3-(butylamino)propanehydrazide

3-(butylamino)propanehydrazide (PubChem CID 132887995) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(butylamino)propanehydrazide.

Molecular Properties

Compound Name3-(butylamino)propanehydrazide
PubChem CID132887995
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-(butylamino)propanehydrazide
SMILESCCCCNCCC(=O)NN
InChIInChI=1S/C7H17N3O/c1-2-3-5-9-6-4-7(11)10-8/h9H,2-6,8H2,1H3,(H,10,11)
InChIKeySDXUXWCDVXOKFA-UHFFFAOYSA-N
XLogP-0.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(butylamino)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-(butylamino)propanehydrazide?
The IUPAC name of 3-(butylamino)propanehydrazide (CID 132887995) is 3-(butylamino)propanehydrazide.
What is the SMILES notation for 3-(butylamino)propanehydrazide?
The canonical SMILES for 3-(butylamino)propanehydrazide is CCCCNCCC(=O)NN.
What is the InChIKey of 3-(butylamino)propanehydrazide?
The InChIKey is SDXUXWCDVXOKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-2-3-5-9-6-4-7(11)10-8/h9H,2-6,8H2,1H3,(H,10,11).
What are the key properties of 3-(butylamino)propanehydrazide?
3-(butylamino)propanehydrazide has a molecular weight of 159.23 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)propanehydrazide is sourced from PubChem (CID 132887995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).