N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine

C8H12N2 — CID 123679002

IUPACN-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine
SMILESC=CC=NC(=C)N=CCC
InChIInChI=1S/C8H12N2/c1-4-6-9-8(3)10-7-5-2/h4,6-7H,1,3,5H2,2H3
InChIKeyLDCFSJUMXFCWHE-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.20
Rot. Bonds4

About N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine

N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine (PubChem CID 123679002) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine.

Molecular Properties

Compound NameN-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine
PubChem CID123679002
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine
SMILESC=CC=NC(=C)N=CCC
InChIInChI=1S/C8H12N2/c1-4-6-9-8(3)10-7-5-2/h4,6-7H,1,3,5H2,2H3
InChIKeyLDCFSJUMXFCWHE-UHFFFAOYSA-N
XLogP2.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine 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

[1,4,8,11]Tetraazacyclotetradecin
CID 17888082
(1E)-N-(Prop-1-en-1-yl)propan-1-imine
CID 54113889
N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 91606293
[1,5,9,13]Tetraazacyclohexadecine
CID 129657122
2,5-Diaza-octatetraene
CID 129694245
N-[(E)-prop-1-enyl]propan-1-imine
CID 12603153
2,3-Dihydro-1,5-diazocine
CID 53737705
N-[(1Z)-penta-1,3,4-trienyl]propan-1-imine
CID 89125137
N-[(Z)-prop-1-enyl]buta-2,3-dien-1-imine
CID 89125138
N-[(1Z)-buta-1,3-dienyl]butan-1-imine
CID 89371314
N-methyl-N'-[(Z)-prop-1-enyl]ethane-1,2-diimine
CID 89847248
1-[(Z)-[(Z)-but-2-enylidene]amino]ethenamine
CID 90382047

Frequently Asked Questions

What is the IUPAC name of N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine?
The IUPAC name of N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine (CID 123679002) is N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine.
What is the SMILES notation for N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine?
The canonical SMILES for N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine is C=CC=NC(=C)N=CCC.
What is the InChIKey of N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine?
The InChIKey is LDCFSJUMXFCWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-6-9-8(3)10-7-5-2/h4,6-7H,1,3,5H2,2H3.
What are the key properties of N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine?
N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine has a molecular weight of 136.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(prop-2-enylideneamino)ethenyl]propan-1-imine is sourced from PubChem (CID 123679002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).