(Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine

C12H18N2 — CID 178168748

IUPAC(Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine
SMILESCNC/C(=C/c1cccc(C)c1)NC
InChIInChI=1S/C12H18N2/c1-10-5-4-6-11(7-10)8-12(14-3)9-13-2/h4-8,13-14H,9H2,1-3H3/b12-8-
InChIKeyNTOOPEWZXREVPH-WQLSENKSSA-N
MW190.29 g/mol
LogP1.77
Rot. Bonds4

About (Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine

(Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine (PubChem CID 178168748) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine
PubChem CID178168748
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine
SMILESCNC/C(=C/c1cccc(C)c1)NC
InChIInChI=1S/C12H18N2/c1-10-5-4-6-11(7-10)8-12(14-3)9-13-2/h4-8,13-14H,9H2,1-3H3/b12-8-
InChIKeyNTOOPEWZXREVPH-WQLSENKSSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine?
The IUPAC name of (Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine (CID 178168748) is (Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine is CNC/C(=C/c1cccc(C)c1)NC.
What is the InChIKey of (Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine?
The InChIKey is NTOOPEWZXREVPH-WQLSENKSSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-5-4-6-11(7-10)8-12(14-3)9-13-2/h4-8,13-14H,9H2,1-3H3/b12-8-.
What are the key properties of (Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine?
(Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine has a molecular weight of 190.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N,2-N-dimethyl-3-(3-methylphenyl)prop-2-ene-1,2-diamine is sourced from PubChem (CID 178168748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).