ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine

C11H21N — CID 169141331

IUPACethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine
SMILESC=C/C(=C\N=C\C)C(C)C.CC
InChIInChI=1S/C9H15N.C2H6/c1-5-9(8(3)4)7-10-6-2;1-2/h5-8H,1H2,2-4H3;1-2H3/b9-7+,10-6+;
InChIKeyVJLIPBAZZQYIIT-YPRGKDSWSA-N
MW167.30 g/mol
LogP3.83
Rot. Bonds3

About ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine

ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine (PubChem CID 169141331) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine
PubChem CID169141331
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine
SMILESC=C/C(=C\N=C\C)C(C)C.CC
InChIInChI=1S/C9H15N.C2H6/c1-5-9(8(3)4)7-10-6-2;1-2/h5-8H,1H2,2-4H3;1-2H3/b9-7+,10-6+;
InChIKeyVJLIPBAZZQYIIT-YPRGKDSWSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.83
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-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidoyl fluoride
CID 146650849
N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine
CID 167254337
2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine
CID 170076014
(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
2-methyl-N-(2-methylpent-1-enyl)pentan-1-imine
CID 54531657
2-methyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59967158
N-[(Z)-but-1-enyl]-2-methylbutan-1-imine
CID 88060174
N-[(1Z)-3-methylbuta-1,3-dienyl]pentan-1-imine
CID 88858217
N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine
CID 88884962
2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine
CID 89064159
N-[(E)-3-ethenylhex-1-enyl]ethanimine
CID 89064164

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine?
The IUPAC name of ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine (CID 169141331) is ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine is C=C/C(=C\N=C\C)C(C)C.CC.
What is the InChIKey of ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine?
The InChIKey is VJLIPBAZZQYIIT-YPRGKDSWSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-5-9(8(3)4)7-10-6-2;1-2/h5-8H,1H2,2-4H3;1-2H3/b9-7+,10-6+;.
What are the key properties of ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine?
ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine has a molecular weight of 167.30 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 169141331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).