(1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine

C17H18N2 — CID 144902551

IUPAC(1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)c1cc(C)cc(-c2ccncc2)c1
InChIInChI=1S/C17H18N2/c1-3-14(4-7-18)16-10-13(2)11-17(12-16)15-5-8-19-9-6-15/h3-12H,18H2,1-2H3/b7-4-,14-3+
InChIKeyVBTMBQHEZYWDHI-NQWNGWNOSA-N
MW250.34 g/mol
LogP3.93
Rot. Bonds3

About (1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine

(1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine (PubChem CID 144902551) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine
PubChem CID144902551
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name(1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)c1cc(C)cc(-c2ccncc2)c1
InChIInChI=1S/C17H18N2/c1-3-14(4-7-18)16-10-13(2)11-17(12-16)15-5-8-19-9-6-15/h3-12H,18H2,1-2H3/b7-4-,14-3+
InChIKeyVBTMBQHEZYWDHI-NQWNGWNOSA-N
XLogP3.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine (CID 144902551) is (1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine is C/C=C(\C=C/N)c1cc(C)cc(-c2ccncc2)c1.
What is the InChIKey of (1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine?
The InChIKey is VBTMBQHEZYWDHI-NQWNGWNOSA-N. The full InChI is InChI=1S/C17H18N2/c1-3-14(4-7-18)16-10-13(2)11-17(12-16)15-5-8-19-9-6-15/h3-12H,18H2,1-2H3/b7-4-,14-3+.
What are the key properties of (1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine?
(1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine has a molecular weight of 250.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 144902551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).