3-(hydrazinylmethyl)but-3-en-1-amine

C5H13N3 — CID 89472278

IUPAC3-(hydrazinylmethyl)but-3-en-1-amine
SMILESC=C(CCN)CNN
InChIInChI=1S/C5H13N3/c1-5(2-3-6)4-8-7/h8H,1-4,6-7H2
InChIKeyRQAVMDAJYBNXFV-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.65
Rot. Bonds4

About 3-(hydrazinylmethyl)but-3-en-1-amine

3-(hydrazinylmethyl)but-3-en-1-amine (PubChem CID 89472278) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-(hydrazinylmethyl)but-3-en-1-amine.

Molecular Properties

Compound Name3-(hydrazinylmethyl)but-3-en-1-amine
PubChem CID89472278
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name3-(hydrazinylmethyl)but-3-en-1-amine
SMILESC=C(CCN)CNN
InChIInChI=1S/C5H13N3/c1-5(2-3-6)4-8-7/h8H,1-4,6-7H2
InChIKeyRQAVMDAJYBNXFV-UHFFFAOYSA-N
XLogP-0.65
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(hydrazinylmethyl)but-3-en-1-amine 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-(hydrazinylmethyl)but-3-en-1-amine?
The IUPAC name of 3-(hydrazinylmethyl)but-3-en-1-amine (CID 89472278) is 3-(hydrazinylmethyl)but-3-en-1-amine.
What is the SMILES notation for 3-(hydrazinylmethyl)but-3-en-1-amine?
The canonical SMILES for 3-(hydrazinylmethyl)but-3-en-1-amine is C=C(CCN)CNN.
What is the InChIKey of 3-(hydrazinylmethyl)but-3-en-1-amine?
The InChIKey is RQAVMDAJYBNXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-5(2-3-6)4-8-7/h8H,1-4,6-7H2.
What are the key properties of 3-(hydrazinylmethyl)but-3-en-1-amine?
3-(hydrazinylmethyl)but-3-en-1-amine has a molecular weight of 115.18 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydrazinylmethyl)but-3-en-1-amine is sourced from PubChem (CID 89472278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).