N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine

C16H17N3 — CID 143645884

IUPACN-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine
SMILESCN/N=C(/C=C/c1ccccn1)c1ccc(C)cc1
InChIInChI=1S/C16H17N3/c1-13-6-8-14(9-7-13)16(19-17-2)11-10-15-5-3-4-12-18-15/h3-12,17H,1-2H3/b11-10+,19-16-
InChIKeyFUMGBSOMACJFJE-RNXVZWMWSA-N
MW251.33 g/mol
LogP3.03
Rot. Bonds4

About N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine

N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine (PubChem CID 143645884) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine
PubChem CID143645884
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine
SMILESCN/N=C(/C=C/c1ccccn1)c1ccc(C)cc1
InChIInChI=1S/C16H17N3/c1-13-6-8-14(9-7-13)16(19-17-2)11-10-15-5-3-4-12-18-15/h3-12,17H,1-2H3/b11-10+,19-16-
InChIKeyFUMGBSOMACJFJE-RNXVZWMWSA-N
XLogP3.03
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine (CID 143645884) is N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine is CN/N=C(/C=C/c1ccccn1)c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine?
The InChIKey is FUMGBSOMACJFJE-RNXVZWMWSA-N. The full InChI is InChI=1S/C16H17N3/c1-13-6-8-14(9-7-13)16(19-17-2)11-10-15-5-3-4-12-18-15/h3-12,17H,1-2H3/b11-10+,19-16-.
What are the key properties of N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine?
N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine has a molecular weight of 251.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine is sourced from PubChem (CID 143645884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).