N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine

C19H28N2 — CID 134417293

IUPACN-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine
SMILESC=N/C(=C\C=C(C)C)C(C)CCc1cccc(C(C)C)n1
InChIInChI=1S/C19H28N2/c1-14(2)10-13-19(20-6)16(5)11-12-17-8-7-9-18(21-17)15(3)4/h7-10,13,15-16H,6,11-12H2,1-5H3/b19-13-
InChIKeyLYVCDASGSFPDEB-UYRXBGFRSA-N
MW284.45 g/mol
LogP5.32
Rot. Bonds7

About N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine

N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine (PubChem CID 134417293) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine
PubChem CID134417293
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine
SMILESC=N/C(=C\C=C(C)C)C(C)CCc1cccc(C(C)C)n1
InChIInChI=1S/C19H28N2/c1-14(2)10-13-19(20-6)16(5)11-12-17-8-7-9-18(21-17)15(3)4/h7-10,13,15-16H,6,11-12H2,1-5H3/b19-13-
InChIKeyLYVCDASGSFPDEB-UYRXBGFRSA-N
XLogP5.32
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.32
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'}

Analyze N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine?
The IUPAC name of N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine (CID 134417293) is N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine.
What is the SMILES notation for N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine?
The canonical SMILES for N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine is C=N/C(=C\C=C(C)C)C(C)CCc1cccc(C(C)C)n1.
What is the InChIKey of N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine?
The InChIKey is LYVCDASGSFPDEB-UYRXBGFRSA-N. The full InChI is InChI=1S/C19H28N2/c1-14(2)10-13-19(20-6)16(5)11-12-17-8-7-9-18(21-17)15(3)4/h7-10,13,15-16H,6,11-12H2,1-5H3/b19-13-.
What are the key properties of N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine?
N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine has a molecular weight of 284.45 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-3,7-dimethyl-1-(6-propan-2-yl-2-pyridinyl)octa-4,6-dien-4-yl]methanimine is sourced from PubChem (CID 134417293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).