(4Z)-2,6-dimethylhepta-1,4-dien-3-imine

C9H15N — CID 123954860

IUPAC(4Z)-2,6-dimethylhepta-1,4-dien-3-imine
SMILES[H]/N=C(/C=C\C(C)C)C(=C)C
InChIInChI=1S/C9H15N/c1-7(2)5-6-9(10)8(3)4/h5-7,10H,3H2,1-2,4H3/b6-5-,10-9-
InChIKeyOKXLJWLGLPBQEC-WBHJMADESA-N
MW137.23 g/mol
LogP2.79
Rot. Bonds3

About (4Z)-2,6-dimethylhepta-1,4-dien-3-imine

(4Z)-2,6-dimethylhepta-1,4-dien-3-imine (PubChem CID 123954860) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (4Z)-2,6-dimethylhepta-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-2,6-dimethylhepta-1,4-dien-3-imine
PubChem CID123954860
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(4Z)-2,6-dimethylhepta-1,4-dien-3-imine
SMILES[H]/N=C(/C=C\C(C)C)C(=C)C
InChIInChI=1S/C9H15N/c1-7(2)5-6-9(10)8(3)4/h5-7,10H,3H2,1-2,4H3/b6-5-,10-9-
InChIKeyOKXLJWLGLPBQEC-WBHJMADESA-N
XLogP2.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2,6-dimethylhepta-1,4-dien-3-imine?
The IUPAC name of (4Z)-2,6-dimethylhepta-1,4-dien-3-imine (CID 123954860) is (4Z)-2,6-dimethylhepta-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-2,6-dimethylhepta-1,4-dien-3-imine?
The canonical SMILES for (4Z)-2,6-dimethylhepta-1,4-dien-3-imine is [H]/N=C(/C=C\C(C)C)C(=C)C.
What is the InChIKey of (4Z)-2,6-dimethylhepta-1,4-dien-3-imine?
The InChIKey is OKXLJWLGLPBQEC-WBHJMADESA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)5-6-9(10)8(3)4/h5-7,10H,3H2,1-2,4H3/b6-5-,10-9-.
What are the key properties of (4Z)-2,6-dimethylhepta-1,4-dien-3-imine?
(4Z)-2,6-dimethylhepta-1,4-dien-3-imine has a molecular weight of 137.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,6-dimethylhepta-1,4-dien-3-imine is sourced from PubChem (CID 123954860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).