(Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine

C20H24N2 — CID 155482813

IUPAC(Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine
SMILES[H]/N=C(/C=C(\N)c1ccc(CCC)c(C)c1)c1cccc(C)c1
InChIInChI=1S/C20H24N2/c1-4-6-16-9-10-18(12-15(16)3)20(22)13-19(21)17-8-5-7-14(2)11-17/h5,7-13,21H,4,6,22H2,1-3H3/b20-13-,21-19-
InChIKeyILERTUHPHGDSGT-SAGWUOGSSA-N
MW292.43 g/mol
LogP4.62
Rot. Bonds5

About (Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine

(Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine (PubChem CID 155482813) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine
PubChem CID155482813
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name(Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine
SMILES[H]/N=C(/C=C(\N)c1ccc(CCC)c(C)c1)c1cccc(C)c1
InChIInChI=1S/C20H24N2/c1-4-6-16-9-10-18(12-15(16)3)20(22)13-19(21)17-8-5-7-14(2)11-17/h5,7-13,21H,4,6,22H2,1-3H3/b20-13-,21-19-
InChIKeyILERTUHPHGDSGT-SAGWUOGSSA-N
XLogP4.62
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.62
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

(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene
CID 145412712
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine
CID 145412713
3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine
CID 154033384
3-imino-1-(3-methylphenyl)prop-1-en-1-amine
CID 148702605
(Z)-3-imino-1-(3-methylphenyl)prop-1-en-1-amine
CID 145049021
1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
N-ethyl-N,3-dimethylbenzenecarboximidamide
CID 175721191
N-[(2-amino-4-carbamimidoylphenyl)methyl]-3-methylbenzamide
CID 58653927
(Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene
CID 145334582
N-amino-N,3-dimethylbenzenecarboximidamide;ethane
CID 143051619
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;6-(3-methylphenyl)-1,2,3,4,9-pentakis-phenylcarbazole
CID 145077194

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine (CID 155482813) is (Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine is [H]/N=C(/C=C(\N)c1ccc(CCC)c(C)c1)c1cccc(C)c1.
What is the InChIKey of (Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine?
The InChIKey is ILERTUHPHGDSGT-SAGWUOGSSA-N. The full InChI is InChI=1S/C20H24N2/c1-4-6-16-9-10-18(12-15(16)3)20(22)13-19(21)17-8-5-7-14(2)11-17/h5,7-13,21H,4,6,22H2,1-3H3/b20-13-,21-19-.
What are the key properties of (Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine?
(Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine has a molecular weight of 292.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 155482813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).