2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine

C13H16N2 — CID 123572854

IUPAC2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine
SMILESCN(C)C=C(Cc1ccccc1)C1=NC1
InChIInChI=1S/C13H16N2/c1-15(2)10-12(13-9-14-13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyHPJRWJPOVJJUGX-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.13
Rot. Bonds4

About 2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine

2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine (PubChem CID 123572854) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine
PubChem CID123572854
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine
SMILESCN(C)C=C(Cc1ccccc1)C1=NC1
InChIInChI=1S/C13H16N2/c1-15(2)10-12(13-9-14-13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyHPJRWJPOVJJUGX-UHFFFAOYSA-N
XLogP2.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-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)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
trimethyl(3-phenylprop-1-en-2-yl)silane
CID 530293
(E)-1-phenylbut-2-en-2-ol
CID 170790149
(2Z)-2-(dimethylaminomethylidene)-4-phenylbutanal
CID 125466026
tert-butyl-[(Z)-2,3-diphenylprop-1-enyl]-dimethylsilane
CID 101151962
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
4-(1-chloro-3-phenylprop-1-en-2-yl)aniline
CID 173399746
1-phenylbut-2-en-2-amine
CID 68995045
1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
CID 61446057
2-[(E)-2-(2-methylphenyl)-3-phenylprop-1-enyl]pyridine
CID 11380609
[(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene
CID 19703232
(E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one
CID 155301097

Frequently Asked Questions

What is the IUPAC name of 2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine?
The IUPAC name of 2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine (CID 123572854) is 2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine.
What is the SMILES notation for 2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine?
The canonical SMILES for 2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine is CN(C)C=C(Cc1ccccc1)C1=NC1.
What is the InChIKey of 2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine?
The InChIKey is HPJRWJPOVJJUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-15(2)10-12(13-9-14-13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine?
2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine has a molecular weight of 200.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-azirin-3-yl)-N,N-dimethyl-3-phenylprop-1-en-1-amine is sourced from PubChem (CID 123572854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).