(2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine

C17H31N — CID 156753805

IUPAC(2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine
SMILES[H]/N=C/C=C(\C=C/C(C)CC)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H31N/c1-8-14(2)9-10-15(11-12-18)17(6,7)13-16(3,4)5/h9-12,14,18H,8,13H2,1-7H3/b10-9-,15-11+,18-12+
InChIKeyYFLLRAIJRGRWQA-QCEQCRTRSA-N
MW249.44 g/mol
LogP5.63
Rot. Bonds6

About (2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine

(2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine (PubChem CID 156753805) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine
PubChem CID156753805
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine
SMILES[H]/N=C/C=C(\C=C/C(C)CC)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H31N/c1-8-14(2)9-10-15(11-12-18)17(6,7)13-16(3,4)5/h9-12,14,18H,8,13H2,1-7H3/b10-9-,15-11+,18-12+
InChIKeyYFLLRAIJRGRWQA-QCEQCRTRSA-N
XLogP5.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine with MolForge

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

Launch Full Analysis

Related Compounds

3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 54391338
[(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine
CID 135217583
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]azanium
CID 91799586
[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]azanium
CID 169452168
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 15279800
(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 60095916
[2-ethyl-3-methyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine
CID 88562249
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
[2-ethenyl-3-methyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine
CID 89090370
(E)-3-tert-butylhex-2-en-1-imine
CID 89518706
(E)-3-[(Z)-2-iodoethenyl]-4,4,6-trimethylhept-2-en-1-imine
CID 89629292
(2Z)-2-(2,2-dimethylpropyl)-5-methylhexa-2,4-dien-1-imine
CID 89697917

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine?
The IUPAC name of (2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine (CID 156753805) is (2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine?
The canonical SMILES for (2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine is [H]/N=C/C=C(\C=C/C(C)CC)C(C)(C)CC(C)(C)C.
What is the InChIKey of (2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine?
The InChIKey is YFLLRAIJRGRWQA-QCEQCRTRSA-N. The full InChI is InChI=1S/C17H31N/c1-8-14(2)9-10-15(11-12-18)17(6,7)13-16(3,4)5/h9-12,14,18H,8,13H2,1-7H3/b10-9-,15-11+,18-12+.
What are the key properties of (2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine?
(2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine has a molecular weight of 249.44 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine is sourced from PubChem (CID 156753805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).