N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine

C16H22N2 — CID 170397283

IUPACN-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine
SMILESC=C(C)/C(=C(C)\N=C\C)c1ccc(C(C)C)nc1
InChIInChI=1S/C16H22N2/c1-7-17-13(6)16(12(4)5)14-8-9-15(11(2)3)18-10-14/h7-11H,4H2,1-3,5-6H3/b16-13+,17-7+
InChIKeyQNVFWQSPPDWYOR-YQNBHCJNSA-N
MW242.37 g/mol
LogP4.60
Rot. Bonds4

About N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine

N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine (PubChem CID 170397283) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine
PubChem CID170397283
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine
SMILESC=C(C)/C(=C(C)\N=C\C)c1ccc(C(C)C)nc1
InChIInChI=1S/C16H22N2/c1-7-17-13(6)16(12(4)5)14-8-9-15(11(2)3)18-10-14/h7-11H,4H2,1-3,5-6H3/b16-13+,17-7+
InChIKeyQNVFWQSPPDWYOR-YQNBHCJNSA-N
XLogP4.60
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine?
The IUPAC name of N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine (CID 170397283) is N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine is C=C(C)/C(=C(C)\N=C\C)c1ccc(C(C)C)nc1.
What is the InChIKey of N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine?
The InChIKey is QNVFWQSPPDWYOR-YQNBHCJNSA-N. The full InChI is InChI=1S/C16H22N2/c1-7-17-13(6)16(12(4)5)14-8-9-15(11(2)3)18-10-14/h7-11H,4H2,1-3,5-6H3/b16-13+,17-7+.
What are the key properties of N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine?
N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine has a molecular weight of 242.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 170397283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).