(1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine

C18H26N2 — CID 166837136

IUPAC(1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine
SMILES[H]/N=C/C(=C\C)C/C(C)=C(/N)c1ccc(C)cc1C(C)C
InChIInChI=1S/C18H26N2/c1-6-15(11-19)10-14(5)18(20)16-8-7-13(4)9-17(16)12(2)3/h6-9,11-12,19H,10,20H2,1-5H3/b15-6-,18-14+,19-11+
InChIKeyBIVFRAHZGYUZSM-DVEJSQFZSA-N
MW270.42 g/mol
LogP4.79
Rot. Bonds5

About (1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine

(1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine (PubChem CID 166837136) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine.

Molecular Properties

Compound Name(1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine
PubChem CID166837136
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine
SMILES[H]/N=C/C(=C\C)C/C(C)=C(/N)c1ccc(C)cc1C(C)C
InChIInChI=1S/C18H26N2/c1-6-15(11-19)10-14(5)18(20)16-8-7-13(4)9-17(16)12(2)3/h6-9,11-12,19H,10,20H2,1-5H3/b15-6-,18-14+,19-11+
InChIKeyBIVFRAHZGYUZSM-DVEJSQFZSA-N
XLogP4.79
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methanimidoyl-4-methyl-2-propan-2-ylbenzenecarboximidamide
CID 166833501
4-methyl-2-propan-2-ylbenzoate
CID 23454400
4-methyl-2-sulfanylbenzenecarboximidamide
CID 142196477
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 63526218
4-methyl-2-(3-methylbutylsulfanyl)benzenecarboximidamide
CID 107750181
(4-methyl-2-propan-2-ylphenyl)hydrazine
CID 169152361
2-[1-hydroxypropan-2-yl(methyl)amino]-4-methylbenzenecarboximidamide
CID 104552211
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 62308122
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 62306905
2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
CID 62306992

Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine?
The IUPAC name of (1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine (CID 166837136) is (1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine.
What is the SMILES notation for (1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine?
The canonical SMILES for (1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine is [H]/N=C/C(=C\C)C/C(C)=C(/N)c1ccc(C)cc1C(C)C.
What is the InChIKey of (1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine?
The InChIKey is BIVFRAHZGYUZSM-DVEJSQFZSA-N. The full InChI is InChI=1S/C18H26N2/c1-6-15(11-19)10-14(5)18(20)16-8-7-13(4)9-17(16)12(2)3/h6-9,11-12,19H,10,20H2,1-5H3/b15-6-,18-14+,19-11+.
What are the key properties of (1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine?
(1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-4-methanimidoyl-2-methyl-1-(4-methyl-2-propan-2-ylphenyl)hexa-1,4-dien-1-amine is sourced from PubChem (CID 166837136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).