4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine

C11H17N3 — CID 89071341

IUPAC4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine
SMILESCc1c(N)ccc(/C=C/N(C)C)c1N
InChIInChI=1S/C11H17N3/c1-8-10(12)5-4-9(11(8)13)6-7-14(2)3/h4-7H,12-13H2,1-3H3/b7-6+
InChIKeyXMGQJIABCJROBY-VOTSOKGWSA-N
MW191.28 g/mol
LogP1.69
Rot. Bonds2

About 4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine

4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine (PubChem CID 89071341) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine
PubChem CID89071341
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine
SMILESCc1c(N)ccc(/C=C/N(C)C)c1N
InChIInChI=1S/C11H17N3/c1-8-10(12)5-4-9(11(8)13)6-7-14(2)3/h4-7H,12-13H2,1-3H3/b7-6+
InChIKeyXMGQJIABCJROBY-VOTSOKGWSA-N
XLogP1.69
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine 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

4-amino-2-(3-amino-6-formyl-2-methylphenyl)-3-methylbenzaldehyde
CID 155385012
4-(3-bromoprop-1-enyl)-2,3-dimethylaniline
CID 169475520
N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine
CID 123915141
N,N-dimethylformamide;2,3-dimethylpyridin-4-amine
CID 174894950
3-(4-amino-2-chloro-3-methylphenyl)prop-2-enal
CID 169459079
3-fluoro-5-methylquinolin-6-amine
CID 166948139
(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine
CID 11310699
5-methylquinazoline-2,4,6-triamine
CID 13413778
3-(4-amino-2-fluoro-3-methylphenyl)prop-2-en-1-ol
CID 169453324
5-methyl-2-(trifluoromethyl)quinolin-6-amine
CID 150996753
3-chloro-2,4-dimethylaniline
CID 15278607
2-[2-(dimethylamino)ethenyl]benzonitrile
CID 54125819

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine?
The IUPAC name of 4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine (CID 89071341) is 4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine?
The canonical SMILES for 4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine is Cc1c(N)ccc(/C=C/N(C)C)c1N.
What is the InChIKey of 4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine?
The InChIKey is XMGQJIABCJROBY-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-10(12)5-4-9(11(8)13)6-7-14(2)3/h4-7H,12-13H2,1-3H3/b7-6+.
What are the key properties of 4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine?
4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(dimethylamino)ethenyl]-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 89071341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).