3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine

C14H19N3 — CID 174041792

IUPAC3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine
SMILESC/N=C/C(=CN)c1ccc(C)c(/C=C\NC)c1
InChIInChI=1S/C14H19N3/c1-11-4-5-13(14(9-15)10-17-3)8-12(11)6-7-16-2/h4-10,16H,15H2,1-3H3/b7-6-,14-9?,17-10+
InChIKeyUKZVTKXLTSWJKH-WMTJXLFNSA-N
MW229.33 g/mol
LogP2.19
Rot. Bonds4

About 3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine

3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine (PubChem CID 174041792) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine.

Molecular Properties

Compound Name3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine
PubChem CID174041792
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine
SMILESC/N=C/C(=CN)c1ccc(C)c(/C=C\NC)c1
InChIInChI=1S/C14H19N3/c1-11-4-5-13(14(9-15)10-17-3)8-12(11)6-7-16-2/h4-10,16H,15H2,1-3H3/b7-6-,14-9?,17-10+
InChIKeyUKZVTKXLTSWJKH-WMTJXLFNSA-N
XLogP2.19
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium
CID 3092170
N'-[(1E)-Mesitylmethylene]Carbonohydrazonic Diamide
CID 9691426
2-Methyl-N-[(2,4,6-trimethylphenyl)methylene]-2-propanamine
CID 10976566
(2,6-Diethylphenyl)methanimine
CID 21277875
[2-[(E)-2-fluoroethenyl]-4-(2-methylpropyl)phenyl]methanimine
CID 88266314
(E)-N-ethenyl-3-(4-ethyl-2-fluoro-3-methylphenyl)but-2-en-1-imine
CID 132239450
(E)-3-(4,5-diethyl-2-fluorophenyl)-N-ethenylbut-2-en-1-imine
CID 132239475
(E)-N-ethenyl-3-(4-ethyl-2-fluoro-5-methylphenyl)but-2-en-1-imine
CID 132239478
(1Z,3E)-N-ethenyl-3-[N-ethyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-5-(3-fluoro-4-methylphenyl)hexa-1,3-dien-1-amine
CID 134502458
(1Z,3E)-N-ethenyl-3-[N-ethyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-6-(3-fluoro-4-methylphenyl)hexa-1,3-dien-1-amine
CID 134502465
(Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine
CID 139501610
8-fluoro-7-methyl-1H-3-benzazepine
CID 142943236

Frequently Asked Questions

What is the IUPAC name of 3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine?
The IUPAC name of 3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine (CID 174041792) is 3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine.
What is the SMILES notation for 3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine?
The canonical SMILES for 3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine is C/N=C/C(=CN)c1ccc(C)c(/C=C\NC)c1.
What is the InChIKey of 3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine?
The InChIKey is UKZVTKXLTSWJKH-WMTJXLFNSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-4-5-13(14(9-15)10-17-3)8-12(11)6-7-16-2/h4-10,16H,15H2,1-3H3/b7-6-,14-9?,17-10+.
What are the key properties of 3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine?
3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-2-[4-methyl-3-[(Z)-2-(methylamino)ethenyl]phenyl]prop-1-en-1-amine is sourced from PubChem (CID 174041792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).