3-(heptylamino)propanehydrazide

C10H23N3O — CID 46736030

IUPAC3-(heptylamino)propanehydrazide
SMILESCCCCCCCNCCC(=O)NN
InChIInChI=1S/C10H23N3O/c1-2-3-4-5-6-8-12-9-7-10(14)13-11/h12H,2-9,11H2,1H3,(H,13,14)
InChIKeyBXSUHSHMLIDOQY-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.93
Rot. Bonds9

About 3-(heptylamino)propanehydrazide

3-(heptylamino)propanehydrazide (PubChem CID 46736030) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(heptylamino)propanehydrazide.

Molecular Properties

Compound Name3-(heptylamino)propanehydrazide
PubChem CID46736030
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name3-(heptylamino)propanehydrazide
SMILESCCCCCCCNCCC(=O)NN
InChIInChI=1S/C10H23N3O/c1-2-3-4-5-6-8-12-9-7-10(14)13-11/h12H,2-9,11H2,1H3,(H,13,14)
InChIKeyBXSUHSHMLIDOQY-UHFFFAOYSA-N
XLogP0.93
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.93
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-(heptylamino)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-(heptylamino)propanehydrazide?
The IUPAC name of 3-(heptylamino)propanehydrazide (CID 46736030) is 3-(heptylamino)propanehydrazide.
What is the SMILES notation for 3-(heptylamino)propanehydrazide?
The canonical SMILES for 3-(heptylamino)propanehydrazide is CCCCCCCNCCC(=O)NN.
What is the InChIKey of 3-(heptylamino)propanehydrazide?
The InChIKey is BXSUHSHMLIDOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-2-3-4-5-6-8-12-9-7-10(14)13-11/h12H,2-9,11H2,1H3,(H,13,14).
What are the key properties of 3-(heptylamino)propanehydrazide?
3-(heptylamino)propanehydrazide has a molecular weight of 201.31 g/mol, XLogP of 0.93, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptylamino)propanehydrazide is sourced from PubChem (CID 46736030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).