N-(2-iminoethyl)prop-2-en-1-amine

C5H10N2 — CID 123595436

IUPACN-(2-iminoethyl)prop-2-en-1-amine
SMILES[H]/N=C/CNCC=C
InChIInChI=1S/C5H10N2/c1-2-4-7-5-3-6/h2-3,6-7H,1,4-5H2/b6-3+
InChIKeyGFJUMFQPAVFVQS-ZZXKWVIFSA-N
MW98.15 g/mol
LogP0.41
Rot. Bonds4

About N-(2-iminoethyl)prop-2-en-1-amine

N-(2-iminoethyl)prop-2-en-1-amine (PubChem CID 123595436) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-(2-iminoethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-iminoethyl)prop-2-en-1-amine
PubChem CID123595436
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-(2-iminoethyl)prop-2-en-1-amine
SMILES[H]/N=C/CNCC=C
InChIInChI=1S/C5H10N2/c1-2-4-7-5-3-6/h2-3,6-7H,1,4-5H2/b6-3+
InChIKeyGFJUMFQPAVFVQS-ZZXKWVIFSA-N
XLogP0.41
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-iminoethyl)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

Related Compounds

(E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine
CID 89000223
azane;N-prop-2-enylprop-2-en-1-amine
CID 20142424
(NE)-N-[3-(prop-2-enylamino)propylidene]hydroxylamine
CID 22123523
N-(2-methoxyiminoethyl)prop-2-en-1-amine
CID 53902178
N-buta-2,3-dienyl-4-(propylideneamino)but-2-en-1-amine
CID 57296669
2,7-dihydro-1H-1,4-diazepine
CID 58550590
2-ethenyl-2,5-dihydro-1H-imidazole
CID 68386761
N-[3-(prop-2-enylamino)propylidene]hydroxylamine
CID 73866388
3-imino-N-prop-2-enylprop-2-en-1-amine
CID 88460275
2-Iminoethyl(prop-2-enyl)azanide
CID 140780312
2-Prop-2-enyliminoethylazanide
CID 140780373
2-Prop-2-enyliminoethanamine
CID 140780374

Frequently Asked Questions

What is the IUPAC name of N-(2-iminoethyl)prop-2-en-1-amine?
The IUPAC name of N-(2-iminoethyl)prop-2-en-1-amine (CID 123595436) is N-(2-iminoethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-iminoethyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-iminoethyl)prop-2-en-1-amine is [H]/N=C/CNCC=C.
What is the InChIKey of N-(2-iminoethyl)prop-2-en-1-amine?
The InChIKey is GFJUMFQPAVFVQS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H10N2/c1-2-4-7-5-3-6/h2-3,6-7H,1,4-5H2/b6-3+.
What are the key properties of N-(2-iminoethyl)prop-2-en-1-amine?
N-(2-iminoethyl)prop-2-en-1-amine has a molecular weight of 98.15 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminoethyl)prop-2-en-1-amine is sourced from PubChem (CID 123595436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).