(Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine

C12H19N — CID 134594411

IUPAC(Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine
SMILESC=C/C(=C\N=C\C=C/C)C(C)CC
InChIInChI=1S/C12H19N/c1-5-8-9-13-10-12(7-3)11(4)6-2/h5,7-11H,3,6H2,1-2,4H3/b8-5-,12-10+,13-9+
InChIKeyZTLABYJDRKTSGY-FVFRCFDASA-N
MW177.29 g/mol
LogP3.75
Rot. Bonds5

About (Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine

(Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine (PubChem CID 134594411) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine
PubChem CID134594411
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine
SMILESC=C/C(=C\N=C\C=C/C)C(C)CC
InChIInChI=1S/C12H19N/c1-5-8-9-13-10-12(7-3)11(4)6-2/h5,7-11H,3,6H2,1-2,4H3/b8-5-,12-10+,13-9+
InChIKeyZTLABYJDRKTSGY-FVFRCFDASA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine (CID 134594411) is (Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine is C=C/C(=C\N=C\C=C/C)C(C)CC.
What is the InChIKey of (Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine?
The InChIKey is ZTLABYJDRKTSGY-FVFRCFDASA-N. The full InChI is InChI=1S/C12H19N/c1-5-8-9-13-10-12(7-3)11(4)6-2/h5,7-11H,3,6H2,1-2,4H3/b8-5-,12-10+,13-9+.
What are the key properties of (Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine?
(Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-2-ethenyl-3-methylpent-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 134594411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).