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

C14H27N — CID 143518274

IUPACethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
SMILESC=C/C(=C\N=C(/C)C(C)C)C(C)C.CC
InChIInChI=1S/C12H21N.C2H6/c1-7-12(10(4)5)8-13-11(6)9(2)3;1-2/h7-10H,1H2,2-6H3;1-2H3/b12-8+,13-11+;
InChIKeyLATPNPPWPISWLO-LRYSJMCUSA-N
MW209.38 g/mol
LogP4.86
Rot. Bonds4

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

ethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine (PubChem CID 143518274) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is ethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine.

Molecular Properties

Compound Nameethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
PubChem CID143518274
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nameethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
SMILESC=C/C(=C\N=C(/C)C(C)C)C(C)C.CC
InChIInChI=1S/C12H21N.C2H6/c1-7-12(10(4)5)8-13-11(6)9(2)3;1-2/h7-10H,1H2,2-6H3;1-2H3/b12-8+,13-11+;
InChIKeyLATPNPPWPISWLO-LRYSJMCUSA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.86
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

3-Fluoro-6-methyl-2-propan-2-yl-1-azacyclohepta-1,3,4,6-tetraene
CID 129082945
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidoyl fluoride
CID 146650849
2-fluoro-3-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]iminobutan-2-amine
CID 156394902
3-fluoro-3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
CID 156394922
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613
1,1,1-trifluoro-3-methyl-N-[(Z)-3-methylidenepent-1-enyl]pentan-2-imine
CID 174202549
3-methyl-N-[(Z)-4,4,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine
CID 170710133
2,3-dimethyl-3H-pyrrole
CID 17769177
3-methyl-N-(2-methylprop-1-enyl)butan-2-imine
CID 57823839
N-[(E)-2-methylbut-1-enyl]butan-2-imine
CID 89324556
N-[(E)-4-methylpent-1-enyl]butan-2-imine
CID 90063487
3-Propan-2-yl-1-propan-2-ylidenepyrrol-1-ium
CID 91216970

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine?
The IUPAC name of ethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine (CID 143518274) is ethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine.
What is the SMILES notation for ethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine?
The canonical SMILES for ethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine is C=C/C(=C\N=C(/C)C(C)C)C(C)C.CC.
What is the InChIKey of ethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine?
The InChIKey is LATPNPPWPISWLO-LRYSJMCUSA-N. The full InChI is InChI=1S/C12H21N.C2H6/c1-7-12(10(4)5)8-13-11(6)9(2)3;1-2/h7-10H,1H2,2-6H3;1-2H3/b12-8+,13-11+;.
What are the key properties of ethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine?
ethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine has a molecular weight of 209.38 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine is sourced from PubChem (CID 143518274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).