(Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine

C11H14N2 — CID 168944442

IUPAC(Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1ccc(C)c(C)c1
InChIInChI=1S/C11H14N2/c1-8-3-4-10(7-9(8)2)11(13)5-6-12/h3-7,12H,13H2,1-2H3/b11-5-,12-6+
InChIKeyUGIQXELYWHDFIQ-JTAXDKCCSA-N
MW174.25 g/mol
LogP2.25
Rot. Bonds2

About (Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine

(Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine (PubChem CID 168944442) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine
PubChem CID168944442
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1ccc(C)c(C)c1
InChIInChI=1S/C11H14N2/c1-8-3-4-10(7-9(8)2)11(13)5-6-12/h3-7,12H,13H2,1-2H3/b11-5-,12-6+
InChIKeyUGIQXELYWHDFIQ-JTAXDKCCSA-N
XLogP2.25
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-(3,4-dimethylphenyl)-3-iminoprop-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

1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine
CID 173297669
(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 163243515
(Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine
CID 156898559
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
(Z)-3-imino-1-(5-methyl-2-pyridinyl)prop-1-en-1-amine
CID 166120557
1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea
CID 173296803
4-[[2-amino-7-[(Z)-1-amino-3-iminoprop-1-enyl]quinolin-4-yl]amino]butanenitrile
CID 142517023
2-(3,4-dimethylphenyl)prop-2-enamide
CID 69495371
(Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine
CID 176940262
(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43337407
3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane
CID 159802984
2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide
CID 174150835

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine (CID 168944442) is (Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine is [H]/N=C/C=C(\N)c1ccc(C)c(C)c1.
What is the InChIKey of (Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine?
The InChIKey is UGIQXELYWHDFIQ-JTAXDKCCSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-3-4-10(7-9(8)2)11(13)5-6-12/h3-7,12H,13H2,1-2H3/b11-5-,12-6+.
What are the key properties of (Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine?
(Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine has a molecular weight of 174.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 168944442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).