(3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine

C16H22N2 — CID 146577623

IUPAC(3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine
SMILESC=C(NC)/C(C)=C\C(Cc1ccccc1C)=N/C
InChIInChI=1S/C16H22N2/c1-12-8-6-7-9-15(12)11-16(18-5)10-13(2)14(3)17-4/h6-10,17H,3,11H2,1-2,4-5H3/b13-10-,18-16+
InChIKeyYVCQBCGODIJYJB-GCRZPWQESA-N
MW242.37 g/mol
LogP3.29
Rot. Bonds5

About (3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine

(3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine (PubChem CID 146577623) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine
PubChem CID146577623
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine
SMILESC=C(NC)/C(C)=C\C(Cc1ccccc1C)=N/C
InChIInChI=1S/C16H22N2/c1-12-8-6-7-9-15(12)11-16(18-5)10-13(2)14(3)17-4/h6-10,17H,3,11H2,1-2,4-5H3/b13-10-,18-16+
InChIKeyYVCQBCGODIJYJB-GCRZPWQESA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,2-dimethyl-4-methylimino-5-(4-methylphenyl)pent-2-enamide
CID 146641197
1-methyl-2-(2-methylidenebutyl)benzene
CID 123760109
(Z)-N,7-dimethyl-11-(2-methylphenyl)undec-6-en-5-imine
CID 145299288
1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol
CID 169131564
5-methyl-1-(2-methylphenyl)hex-5-en-2-one
CID 114473510
1-(3-bromobut-3-enyl)-2-methylbenzene
CID 24721733
2-(2-methylphenyl)acetic acid
CID 67440217
methyl 3-[(2-methylphenyl)methyl]but-3-enoate
CID 117268934
1-methyl-2-[[2-(1-methylsulfanylethenyl)phenyl]methyl]benzene
CID 143666794
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine?
The IUPAC name of (3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine (CID 146577623) is (3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine is C=C(NC)/C(C)=C\C(Cc1ccccc1C)=N/C.
What is the InChIKey of (3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine?
The InChIKey is YVCQBCGODIJYJB-GCRZPWQESA-N. The full InChI is InChI=1S/C16H22N2/c1-12-8-6-7-9-15(12)11-16(18-5)10-13(2)14(3)17-4/h6-10,17H,3,11H2,1-2,4-5H3/b13-10-,18-16+.
What are the key properties of (3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine?
(3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine has a molecular weight of 242.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine is sourced from PubChem (CID 146577623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).