3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine

C13H23N — CID 178092345

IUPAC3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine
SMILESC/C=C\C=C(/C)C/N=C(\C)C(C)CC
InChIInChI=1S/C13H23N/c1-6-8-9-11(3)10-14-13(5)12(4)7-2/h6,8-9,12H,7,10H2,1-5H3/b8-6-,11-9+,14-13+
InChIKeyXQBSEWXLUJUREH-GLYDDASCSA-N
MW193.33 g/mol
LogP4.02
Rot. Bonds5

About 3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine

3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine (PubChem CID 178092345) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine
PubChem CID178092345
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine
SMILESC/C=C\C=C(/C)C/N=C(\C)C(C)CC
InChIInChI=1S/C13H23N/c1-6-8-9-11(3)10-14-13(5)12(4)7-2/h6,8-9,12H,7,10H2,1-5H3/b8-6-,11-9+,14-13+
InChIKeyXQBSEWXLUJUREH-GLYDDASCSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine with MolForge

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Related Compounds

N-(2-methylhexa-2,4-dienyl)ethanimine
CID 123470276
N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine
CID 144645018
(Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine
CID 167138679
(5E,7Z)-5-methylnona-5,7-dien-2-ol
CID 142261527
(2Z,4E)-5,9-dimethyldodeca-2,4-diene
CID 143714794
N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide
CID 178168015
6-ethyl-5,8-dimethylnona-2,4-diene
CID 123215869
(Z)-N-(3-methylpent-1-en-2-yl)but-2-en-1-imine
CID 135298540
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422
5,6-dimethyldeca-2,4-diene
CID 91470784
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine?
The IUPAC name of 3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine (CID 178092345) is 3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine.
What is the SMILES notation for 3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine?
The canonical SMILES for 3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine is C/C=C\C=C(/C)C/N=C(\C)C(C)CC.
What is the InChIKey of 3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine?
The InChIKey is XQBSEWXLUJUREH-GLYDDASCSA-N. The full InChI is InChI=1S/C13H23N/c1-6-8-9-11(3)10-14-13(5)12(4)7-2/h6,8-9,12H,7,10H2,1-5H3/b8-6-,11-9+,14-13+.
What are the key properties of 3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine?
3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine has a molecular weight of 193.33 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine is sourced from PubChem (CID 178092345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).