N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine

C10H17N — CID 123756483

IUPACN-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(/C)C=C(C)CC
InChIInChI=1S/C10H17N/c1-5-9(3)7-10(4)8-11-6-2/h6-8H,5H2,1-4H3/b9-7?,10-8-,11-6+
InChIKeySJPVLDMSZXYVKA-JCDXLBIOSA-N
MW151.25 g/mol
LogP3.34
Rot. Bonds3

About N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine

N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine (PubChem CID 123756483) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine
PubChem CID123756483
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(/C)C=C(C)CC
InChIInChI=1S/C10H17N/c1-5-9(3)7-10(4)8-11-6-2/h6-8H,5H2,1-4H3/b9-7?,10-8-,11-6+
InChIKeySJPVLDMSZXYVKA-JCDXLBIOSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.34
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'}

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Related Compounds

N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
CID 129172083
N-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]ethanimine
CID 142839013
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine
CID 143139877
(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine
CID 163860907
N-[(3E,5Z)-4-fluoro-2,5-dimethylhepta-1,3,5-trien-3-yl]ethanimine
CID 163986819
N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine
CID 166976510
(Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine
CID 167149871
N-[(1Z,3E)-5-fluoro-2,4-dimethylpenta-1,3-dienyl]methanimine
CID 171633095
5-ethyl-6-fluoro-3H-azepine
CID 172369735
3,6-dimethyl-3H-azepine
CID 10103165

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine (CID 123756483) is N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine is C/C=N/C=C(/C)C=C(C)CC.
What is the InChIKey of N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine?
The InChIKey is SJPVLDMSZXYVKA-JCDXLBIOSA-N. The full InChI is InChI=1S/C10H17N/c1-5-9(3)7-10(4)8-11-6-2/h6-8H,5H2,1-4H3/b9-7?,10-8-,11-6+.
What are the key properties of N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine?
N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine has a molecular weight of 151.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2,4-dimethylhexa-1,3-dienyl]ethanimine is sourced from PubChem (CID 123756483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).