N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine

C9H15N — CID 123473803

IUPACN-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine
SMILESC=C/C(=C\N=C(C)C)CC
InChIInChI=1S/C9H15N/c1-5-9(6-2)7-10-8(3)4/h5,7H,1,6H2,2-4H3/b9-7+
InChIKeyGJWVWNBFXMTHJN-VQHVLOKHSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds3

About N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine

N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine (PubChem CID 123473803) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine.

Molecular Properties

Compound NameN-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine
PubChem CID123473803
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine
SMILESC=C/C(=C\N=C(C)C)CC
InChIInChI=1S/C9H15N/c1-5-9(6-2)7-10-8(3)4/h5,7H,1,6H2,2-4H3/b9-7+
InChIKeyGJWVWNBFXMTHJN-VQHVLOKHSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
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)-2-fluoro-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123850187
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimidoyl fluoride
CID 146650849
ethane;1,1,1-trifluoro-N-[(1Z)-2-methylbuta-1,3-dienyl]propan-2-imine
CID 155731310
3-fluoro-3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
CID 156394922
N-[(E)-3-fluoro-2-methylbut-1-enyl]but-3-en-2-imine
CID 166991045
N-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]propan-2-imine
CID 169929591
N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropropan-2-imine
CID 169938390
ethane;N-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]propan-2-imine
CID 172242050
1,1,1-trifluoro-N-[(1Z)-3-methylbuta-1,3-dienyl]propan-2-imine
CID 144158076
1,1,1-trifluoro-N-[(1Z)-2-methylbuta-1,3-dienyl]propan-2-imine
CID 155731311
2-Methyl-3-methylidenepyrrole
CID 85519003
N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900845

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine?
The IUPAC name of N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine (CID 123473803) is N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine.
What is the SMILES notation for N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine?
The canonical SMILES for N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine is C=C/C(=C\N=C(C)C)CC.
What is the InChIKey of N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine?
The InChIKey is GJWVWNBFXMTHJN-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H15N/c1-5-9(6-2)7-10-8(3)4/h5,7H,1,6H2,2-4H3/b9-7+.
What are the key properties of N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine?
N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2-ethylbuta-1,3-dienyl]propan-2-imine is sourced from PubChem (CID 123473803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).