2,6-dimethylhepta-2,5-dien-4-imine

C9H15N — CID 23064947

IUPAC2,6-dimethylhepta-2,5-dien-4-imine
SMILES[H]N=C(C=C(C)C)C=C(C)C
InChIInChI=1S/C9H15N/c1-7(2)5-9(10)6-8(3)4/h5-6,10H,1-4H3
InChIKeyYQHVQBXPMJGRRU-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.94
Rot. Bonds2

About 2,6-dimethylhepta-2,5-dien-4-imine

2,6-dimethylhepta-2,5-dien-4-imine (PubChem CID 23064947) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,6-dimethylhepta-2,5-dien-4-imine.

Molecular Properties

Compound Name2,6-dimethylhepta-2,5-dien-4-imine
PubChem CID23064947
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2,6-dimethylhepta-2,5-dien-4-imine
SMILES[H]N=C(C=C(C)C)C=C(C)C
InChIInChI=1S/C9H15N/c1-7(2)5-9(10)6-8(3)4/h5-6,10H,1-4H3
InChIKeyYQHVQBXPMJGRRU-UHFFFAOYSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.94
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 2,6-dimethylhepta-2,5-dien-4-imine?
The IUPAC name of 2,6-dimethylhepta-2,5-dien-4-imine (CID 23064947) is 2,6-dimethylhepta-2,5-dien-4-imine.
What is the SMILES notation for 2,6-dimethylhepta-2,5-dien-4-imine?
The canonical SMILES for 2,6-dimethylhepta-2,5-dien-4-imine is [H]N=C(C=C(C)C)C=C(C)C.
What is the InChIKey of 2,6-dimethylhepta-2,5-dien-4-imine?
The InChIKey is YQHVQBXPMJGRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)5-9(10)6-8(3)4/h5-6,10H,1-4H3.
What are the key properties of 2,6-dimethylhepta-2,5-dien-4-imine?
2,6-dimethylhepta-2,5-dien-4-imine has a molecular weight of 137.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylhepta-2,5-dien-4-imine is sourced from PubChem (CID 23064947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).