(E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide

C12H16N2 — CID 134112300

IUPAC(E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide
SMILES[H]/N=C(/C=C/c1ccccc1C)N(C)C
InChIInChI=1S/C12H16N2/c1-10-6-4-5-7-11(10)8-9-12(13)14(2)3/h4-9,13H,1-3H3/b9-8+,13-12-
InChIKeyVTWKQCSPPZNFHI-FRGMPSNRSA-N
MW188.27 g/mol
LogP2.55
Rot. Bonds2

About (E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide

(E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide (PubChem CID 134112300) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide
PubChem CID134112300
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide
SMILES[H]/N=C(/C=C/c1ccccc1C)N(C)C
InChIInChI=1S/C12H16N2/c1-10-6-4-5-7-11(10)8-9-12(13)14(2)3/h4-9,13H,1-3H3/b9-8+,13-12-
InChIKeyVTWKQCSPPZNFHI-FRGMPSNRSA-N
XLogP2.55
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide?
The IUPAC name of (E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide (CID 134112300) is (E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide?
The canonical SMILES for (E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide is [H]/N=C(/C=C/c1ccccc1C)N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide?
The InChIKey is VTWKQCSPPZNFHI-FRGMPSNRSA-N. The full InChI is InChI=1S/C12H16N2/c1-10-6-4-5-7-11(10)8-9-12(13)14(2)3/h4-9,13H,1-3H3/b9-8+,13-12-.
What are the key properties of (E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide?
(E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide has a molecular weight of 188.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide is sourced from PubChem (CID 134112300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).