N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene

C24H34N2 — CID 142975296

IUPACN,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene
SMILESC=CC.C=N/C(=C\C)c1ccc(N(C)c2ccccc2C)c(C)c1.CC
InChIInChI=1S/C19H22N2.C3H6.C2H6/c1-6-17(20-4)16-11-12-19(15(3)13-16)21(5)18-10-8-7-9-14(18)2;1-3-2;1-2/h6-13H,4H2,1-3,5H3;3H,1H2,2H3;1-2H3/b17-6-;;
InChIKeyWWFZCZMRZCKORC-QMNZVVPRSA-N
MW350.55 g/mol
LogP7.35
Rot. Bonds4

About N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene

N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene (PubChem CID 142975296) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene.

Molecular Properties

Compound NameN,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene
PubChem CID142975296
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC NameN,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene
SMILESC=CC.C=N/C(=C\C)c1ccc(N(C)c2ccccc2C)c(C)c1.CC
InChIInChI=1S/C19H22N2.C3H6.C2H6/c1-6-17(20-4)16-11-12-19(15(3)13-16)21(5)18-10-8-7-9-14(18)2;1-3-2;1-2/h6-13H,4H2,1-3,5H3;3H,1H2,2H3;1-2H3/b17-6-;;
InChIKeyWWFZCZMRZCKORC-QMNZVVPRSA-N
XLogP7.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine
CID 145299137
2-N,4,5-trimethyl-2-N-(2-methylphenyl)benzene-1,2-diamine
CID 114281251
4-(bromomethyl)-N-methyl-N-(2-methylphenyl)-2-(trifluoromethyl)aniline
CID 107082578
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline
CID 163538008
2-methyl-N-prop-1-en-2-yl-N-(4-prop-1-en-2-ylphenyl)aniline
CID 143656363
1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
CID 62912702
(1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
CID 78940882
2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 114065440
(E)-1-N-ethenyl-1-N-(2-methylphenyl)prop-1-ene-1,2-diamine
CID 166807260
4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
CID 63817569
(E)-3-[4-chloro-2-(N,2-dimethylanilino)phenyl]prop-2-enoic acid
CID 114858425

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene?
The IUPAC name of N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene (CID 142975296) is N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene.
What is the SMILES notation for N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene?
The canonical SMILES for N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene is C=CC.C=N/C(=C\C)c1ccc(N(C)c2ccccc2C)c(C)c1.CC.
What is the InChIKey of N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene?
The InChIKey is WWFZCZMRZCKORC-QMNZVVPRSA-N. The full InChI is InChI=1S/C19H22N2.C3H6.C2H6/c1-6-17(20-4)16-11-12-19(15(3)13-16)21(5)18-10-8-7-9-14(18)2;1-3-2;1-2/h6-13H,4H2,1-3,5H3;3H,1H2,2H3;1-2H3/b17-6-;;.
What are the key properties of N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene?
N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene has a molecular weight of 350.55 g/mol, XLogP of 7.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[(Z)-1-(methylideneamino)prop-1-enyl]-N-(2-methylphenyl)aniline;ethane;prop-1-ene is sourced from PubChem (CID 142975296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).