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

C12H23N — CID 145157841

IUPACN-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane
SMILESC/C=C\C(C)(C)/C=C\N=C\C.CC
InChIInChI=1S/C10H17N.C2H6/c1-5-7-10(3,4)8-9-11-6-2;1-2/h5-9H,1-4H3;1-2H3/b7-5-,9-8-,11-6+;
InChIKeyJLVNGDVTDVARGU-MXPUASAOSA-N
MW181.32 g/mol
LogP4.22
Rot. Bonds3

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

N-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane (PubChem CID 145157841) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane.

Molecular Properties

Compound NameN-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane
PubChem CID145157841
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane
SMILESC/C=C\C(C)(C)/C=C\N=C\C.CC
InChIInChI=1S/C10H17N.C2H6/c1-5-7-10(3,4)8-9-11-6-2;1-2/h5-9H,1-4H3;1-2H3/b7-5-,9-8-,11-6+;
InChIKeyJLVNGDVTDVARGU-MXPUASAOSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine
CID 143003949
(E)-N-ethenyl-3-fluorohex-3-en-1-imine
CID 143495541
2-Fluoro-4,4-dimethylazepine
CID 177210027
3-Methyl-3-(1-propenyl)pyrrole
CID 129786932
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 10464698
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
N-hexa-1,3-dienylhex-3-en-1-imine
CID 56629480
N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine
CID 58422540
(Z)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 58765980
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine
CID 59179900
N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine
CID 59734363
N-[(Z)-3,3-dimethylbut-1-enyl]-2-methylpropan-1-imine
CID 59848843

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane?
The IUPAC name of N-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane (CID 145157841) is N-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane.
What is the SMILES notation for N-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane?
The canonical SMILES for N-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane is C/C=C\C(C)(C)/C=C\N=C\C.CC.
What is the InChIKey of N-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane?
The InChIKey is JLVNGDVTDVARGU-MXPUASAOSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-5-7-10(3,4)8-9-11-6-2;1-2/h5-9H,1-4H3;1-2H3/b7-5-,9-8-,11-6+;.
What are the key properties of N-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane?
N-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane has a molecular weight of 181.32 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]ethanimine;ethane is sourced from PubChem (CID 145157841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).