(3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine

C14H21N — CID 134526419

IUPAC(3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine
SMILESC=CCC/N=C/C/C(C=C)=C/C=C(C)C
InChIInChI=1S/C14H21N/c1-5-7-11-15-12-10-14(6-2)9-8-13(3)4/h5-6,8-9,12H,1-2,7,10-11H2,3-4H3/b14-9+,15-12+
InChIKeyZCUJPRMLISNDJZ-WKDANBKTSA-N
MW203.33 g/mol
LogP4.10
Rot. Bonds7

About (3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine

(3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine (PubChem CID 134526419) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine
PubChem CID134526419
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine
SMILESC=CCC/N=C/C/C(C=C)=C/C=C(C)C
InChIInChI=1S/C14H21N/c1-5-7-11-15-12-10-14(6-2)9-8-13(3)4/h5-6,8-9,12H,1-2,7,10-11H2,3-4H3/b14-9+,15-12+
InChIKeyZCUJPRMLISNDJZ-WKDANBKTSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine?
The IUPAC name of (3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine (CID 134526419) is (3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine.
What is the SMILES notation for (3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine?
The canonical SMILES for (3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine is C=CCC/N=C/C/C(C=C)=C/C=C(C)C.
What is the InChIKey of (3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine?
The InChIKey is ZCUJPRMLISNDJZ-WKDANBKTSA-N. The full InChI is InChI=1S/C14H21N/c1-5-7-11-15-12-10-14(6-2)9-8-13(3)4/h5-6,8-9,12H,1-2,7,10-11H2,3-4H3/b14-9+,15-12+.
What are the key properties of (3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine?
(3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine has a molecular weight of 203.33 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine is sourced from PubChem (CID 134526419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).