1-(1-aminoprop-2-enylimino)propan-2-amine

C6H13N3 — CID 123609442

IUPAC1-(1-aminoprop-2-enylimino)propan-2-amine
SMILESC=CC(N)N=CC(C)N
InChIInChI=1S/C6H13N3/c1-3-6(8)9-4-5(2)7/h3-6H,1,7-8H2,2H3
InChIKeyIAXQOPZZWGJDFM-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.12
Rot. Bonds3

About 1-(1-aminoprop-2-enylimino)propan-2-amine

1-(1-aminoprop-2-enylimino)propan-2-amine (PubChem CID 123609442) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(1-aminoprop-2-enylimino)propan-2-amine.

Molecular Properties

Compound Name1-(1-aminoprop-2-enylimino)propan-2-amine
PubChem CID123609442
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1-(1-aminoprop-2-enylimino)propan-2-amine
SMILESC=CC(N)N=CC(C)N
InChIInChI=1S/C6H13N3/c1-3-6(8)9-4-5(2)7/h3-6H,1,7-8H2,2H3
InChIKeyIAXQOPZZWGJDFM-UHFFFAOYSA-N
XLogP-0.12
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-aminoprop-2-enylimino)propan-2-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

2-(Prop-2-enylideneamino)propan-1-amine
CID 88877732
2-[(E)-but-2-enyl]iminoethanamine
CID 89368769
1-N-prop-2-enylpropane-1,2-diimine
CID 90958343
1-(Prop-2-enylideneamino)ethanamine
CID 123302521
2-But-2-enyliminoethanamine
CID 123576375
2-Prop-2-enyliminoethylazanide
CID 140780373
2-Prop-2-enyliminoethanamine
CID 140780374
1-(Ethylideneamino)but-2-ene-1,1-diamine
CID 141061060
5-Methyliminopent-1-en-3-amine
CID 143835644
(Z)-4-iodo-1-methyliminobut-3-en-2-amine
CID 144433947
N-prop-2-enylpropan-1-imine;[(Z)-propylideneamino]methanamine
CID 144511969
1-[(Z)-prop-1-enyl]iminobutan-2-amine
CID 146409780

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoprop-2-enylimino)propan-2-amine?
The IUPAC name of 1-(1-aminoprop-2-enylimino)propan-2-amine (CID 123609442) is 1-(1-aminoprop-2-enylimino)propan-2-amine.
What is the SMILES notation for 1-(1-aminoprop-2-enylimino)propan-2-amine?
The canonical SMILES for 1-(1-aminoprop-2-enylimino)propan-2-amine is C=CC(N)N=CC(C)N.
What is the InChIKey of 1-(1-aminoprop-2-enylimino)propan-2-amine?
The InChIKey is IAXQOPZZWGJDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-6(8)9-4-5(2)7/h3-6H,1,7-8H2,2H3.
What are the key properties of 1-(1-aminoprop-2-enylimino)propan-2-amine?
1-(1-aminoprop-2-enylimino)propan-2-amine has a molecular weight of 127.19 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoprop-2-enylimino)propan-2-amine is sourced from PubChem (CID 123609442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).