(Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine

C16H17N3 — CID 143044800

IUPAC(Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine
SMILES[H]/N=C(C(=C(/C)N)/c1ccncc1)\c1ccc(C)cc1
InChIInChI=1S/C16H17N3/c1-11-3-5-14(6-4-11)16(18)15(12(2)17)13-7-9-19-10-8-13/h3-10,18H,17H2,1-2H3/b15-12-,18-16+
InChIKeyZSHIHNCLPKCXRP-RZUHJYTCSA-N
MW251.33 g/mol
LogP3.15
Rot. Bonds3

About (Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine

(Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine (PubChem CID 143044800) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine
PubChem CID143044800
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name(Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine
SMILES[H]/N=C(C(=C(/C)N)/c1ccncc1)\c1ccc(C)cc1
InChIInChI=1S/C16H17N3/c1-11-3-5-14(6-4-11)16(18)15(12(2)17)13-7-9-19-10-8-13/h3-10,18H,17H2,1-2H3/b15-12-,18-16+
InChIKeyZSHIHNCLPKCXRP-RZUHJYTCSA-N
XLogP3.15
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.15
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

4-[4-[(Z)-3-amino-1-imino-1-pyridin-4-ylbut-2-en-2-yl]-2-ethylphenyl]benzonitrile
CID 166490674
(Z)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-4-imino-4-pyridin-4-ylbut-2-en-2-amine
CID 166490581
(Z)-3-(4-chlorophenyl)-4-imino-4-(1-methylpyrazol-4-yl)but-2-en-2-amine
CID 166490611
(2Z)-2-[1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethylidene]-3,4-dimethyl-1-(4-methylphenyl)pent-3-en-1-imine
CID 146184680
1-(4-methylphenyl)ethanimine;hydrochloride
CID 131845076
1-(4-fluorophenyl)-2-imino-2-pyridin-4-ylethanone
CID 89234992
copper;bis(4-methylbenzoate);bis(pyridine-4-carboxamide);dihydrate
CID 139079434
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene
CID 132538169
(NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
CID 135582748
ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine
CID 144506172
azane;ethane;5-methyl-4,5-dihydro-1,3-thiazole;1-(4-methylphenyl)propane-1,2-diimine
CID 143630978

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine?
The IUPAC name of (Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine (CID 143044800) is (Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine.
What is the SMILES notation for (Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine?
The canonical SMILES for (Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine is [H]/N=C(C(=C(/C)N)/c1ccncc1)\c1ccc(C)cc1.
What is the InChIKey of (Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine?
The InChIKey is ZSHIHNCLPKCXRP-RZUHJYTCSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-3-5-14(6-4-11)16(18)15(12(2)17)13-7-9-19-10-8-13/h3-10,18H,17H2,1-2H3/b15-12-,18-16+.
What are the key properties of (Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine?
(Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-4-(4-methylphenyl)-3-pyridin-4-ylbut-2-en-2-amine is sourced from PubChem (CID 143044800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).