1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine

C12H14N2 — CID 134331110

IUPAC1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine
SMILESC=C(/N=C(C)/C=N/C)c1ccccc1
InChIInChI=1S/C12H14N2/c1-10(9-13-3)14-11(2)12-7-5-4-6-8-12/h4-9H,2H2,1,3H3/b13-9+,14-10+
InChIKeyRZOZXTDPZKLEKZ-UTLPMFLDSA-N
MW186.26 g/mol
LogP2.82
Rot. Bonds3

About 1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine

1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine (PubChem CID 134331110) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine.

Molecular Properties

Compound Name1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine
PubChem CID134331110
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine
SMILESC=C(/N=C(C)/C=N/C)c1ccccc1
InChIInChI=1S/C12H14N2/c1-10(9-13-3)14-11(2)12-7-5-4-6-8-12/h4-9H,2H2,1,3H3/b13-9+,14-10+
InChIKeyRZOZXTDPZKLEKZ-UTLPMFLDSA-N
XLogP2.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine 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

N'-methyl-2-(1-phenylethenylimino)propanimidamide
CID 123327776
(E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine
CID 142539028
1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine
CID 145243332
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
prop-1-en-2-ylbenzene;silane
CID 174724970
N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
CID 126661807
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
methylimino(oxo)methane;prop-1-en-2-ylbenzene
CID 157367451
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
ethenamine;prop-1-en-2-ylbenzene
CID 172805831
1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
CID 142394381
N-(2-methyl-1-phenylprop-2-enylidene)hydroxylamine
CID 73116354

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine?
The IUPAC name of 1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine (CID 134331110) is 1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine.
What is the SMILES notation for 1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine?
The canonical SMILES for 1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine is C=C(/N=C(C)/C=N/C)c1ccccc1.
What is the InChIKey of 1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine?
The InChIKey is RZOZXTDPZKLEKZ-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H14N2/c1-10(9-13-3)14-11(2)12-7-5-4-6-8-12/h4-9H,2H2,1,3H3/b13-9+,14-10+.
What are the key properties of 1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine?
1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine has a molecular weight of 186.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine is sourced from PubChem (CID 134331110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).