(4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine

C11H17N — CID 129035894

IUPAC(4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine
SMILESC=C/C=C\C(=N/C=C)C(C)(C)C
InChIInChI=1S/C11H17N/c1-6-8-9-10(12-7-2)11(3,4)5/h6-9H,1-2H2,3-5H3/b9-8-,12-10+
InChIKeyPASVWPRRJQHUKS-LVQHWDRTSA-N
MW163.26 g/mol
LogP3.36
Rot. Bonds3

About (4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine

(4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine (PubChem CID 129035894) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine
PubChem CID129035894
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine
SMILESC=C/C=C\C(=N/C=C)C(C)(C)C
InChIInChI=1S/C11H17N/c1-6-8-9-10(12-7-2)11(3,4)5/h6-9H,1-2H2,3-5H3/b9-8-,12-10+
InChIKeyPASVWPRRJQHUKS-LVQHWDRTSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.36
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 (4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine?
The IUPAC name of (4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine (CID 129035894) is (4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine.
What is the SMILES notation for (4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine?
The canonical SMILES for (4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine is C=C/C=C\C(=N/C=C)C(C)(C)C.
What is the InChIKey of (4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine?
The InChIKey is PASVWPRRJQHUKS-LVQHWDRTSA-N. The full InChI is InChI=1S/C11H17N/c1-6-8-9-10(12-7-2)11(3,4)5/h6-9H,1-2H2,3-5H3/b9-8-,12-10+.
What are the key properties of (4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine?
(4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine has a molecular weight of 163.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine is sourced from PubChem (CID 129035894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).