3-(ethylideneamino)prop-2-en-1-amine

C5H10N2 — CID 91265442

IUPAC3-(ethylideneamino)prop-2-en-1-amine
SMILESC/C=N/C=CCN
InChIInChI=1S/C5H10N2/c1-2-7-5-3-4-6/h2-3,5H,4,6H2,1H3/b5-3?,7-2+
InChIKeyNUDWBJSWDJBYEK-SFVHHYSHSA-N
MW98.15 g/mol
LogP0.55
Rot. Bonds2

About 3-(ethylideneamino)prop-2-en-1-amine

3-(ethylideneamino)prop-2-en-1-amine (PubChem CID 91265442) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-(ethylideneamino)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(ethylideneamino)prop-2-en-1-amine
PubChem CID91265442
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3-(ethylideneamino)prop-2-en-1-amine
SMILESC/C=N/C=CCN
InChIInChI=1S/C5H10N2/c1-2-7-5-3-4-6/h2-3,5H,4,6H2,1H3/b5-3?,7-2+
InChIKeyNUDWBJSWDJBYEK-SFVHHYSHSA-N
XLogP0.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(ethylideneamino)prop-2-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-(ethylideneamino)prop-2-en-1-amine?
The IUPAC name of 3-(ethylideneamino)prop-2-en-1-amine (CID 91265442) is 3-(ethylideneamino)prop-2-en-1-amine.
What is the SMILES notation for 3-(ethylideneamino)prop-2-en-1-amine?
The canonical SMILES for 3-(ethylideneamino)prop-2-en-1-amine is C/C=N/C=CCN.
What is the InChIKey of 3-(ethylideneamino)prop-2-en-1-amine?
The InChIKey is NUDWBJSWDJBYEK-SFVHHYSHSA-N. The full InChI is InChI=1S/C5H10N2/c1-2-7-5-3-4-6/h2-3,5H,4,6H2,1H3/b5-3?,7-2+.
What are the key properties of 3-(ethylideneamino)prop-2-en-1-amine?
3-(ethylideneamino)prop-2-en-1-amine has a molecular weight of 98.15 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylideneamino)prop-2-en-1-amine is sourced from PubChem (CID 91265442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).