N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine

C11H19N — CID 143703521

IUPACN-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine
SMILESC/C=C\C(C)(/C=C\N=C\C)CC
InChIInChI=1S/C11H19N/c1-5-8-11(4,6-2)9-10-12-7-3/h5,7-10H,6H2,1-4H3/b8-5-,10-9-,12-7+
InChIKeyXQJXMMFMDICRNY-YZZVZXFNSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds4

About N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine

N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine (PubChem CID 143703521) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine
PubChem CID143703521
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine
SMILESC/C=C\C(C)(/C=C\N=C\C)CC
InChIInChI=1S/C11H19N/c1-5-8-11(4,6-2)9-10-12-7-3/h5,7-10H,6H2,1-4H3/b8-5-,10-9-,12-7+
InChIKeyXQJXMMFMDICRNY-YZZVZXFNSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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-[(1Z)-3-ethyl-3-methylpenta-1,4-dienyl]ethanimine
CID 153397886
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
N-[(E)-but-1-enyl]ethanimine
CID 147915693
3-ethyl-3-methylocta-1,4,6-triene
CID 123900148
N-[(1Z)-penta-1,3-dienyl]ethanimine
CID 91245068
(Z)-N-ethenyl-N'-ethylideneprop-2-ene-1,3-diimine
CID 126660383
4,4,6,6-tetramethyloct-2-ene
CID 123519288
N-[(1Z,3Z)-5-methylhepta-1,3-dienyl]ethanimine
CID 143743991
(Z)-hex-4-ene-3,3-diamine
CID 90219122
ethane;N-ethenylethanimine;propane
CID 143338829
3-ethylhex-4-en-3-ol
CID 54219311
3-ethylhex-4-en-3-amine
CID 174912899

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine?
The IUPAC name of N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine (CID 143703521) is N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine?
The canonical SMILES for N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine is C/C=C\C(C)(/C=C\N=C\C)CC.
What is the InChIKey of N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine?
The InChIKey is XQJXMMFMDICRNY-YZZVZXFNSA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-11(4,6-2)9-10-12-7-3/h5,7-10H,6H2,1-4H3/b8-5-,10-9-,12-7+.
What are the key properties of N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine?
N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,4Z)-3-ethyl-3-methylhexa-1,4-dienyl]ethanimine is sourced from PubChem (CID 143703521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).