2,4-dimethylpenta-1,4-dien-3-imine

C7H11N — CID 142280306

IUPAC2,4-dimethylpenta-1,4-dien-3-imine
SMILES[H]N=C(C(=C)C)C(=C)C
InChIInChI=1S/C7H11N/c1-5(2)7(8)6(3)4/h8H,1,3H2,2,4H3
InChIKeyQJFFQFCXCXGEIQ-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.16
Rot. Bonds2

About 2,4-dimethylpenta-1,4-dien-3-imine

2,4-dimethylpenta-1,4-dien-3-imine (PubChem CID 142280306) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,4-dimethylpenta-1,4-dien-3-imine.

Molecular Properties

Compound Name2,4-dimethylpenta-1,4-dien-3-imine
PubChem CID142280306
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,4-dimethylpenta-1,4-dien-3-imine
SMILES[H]N=C(C(=C)C)C(=C)C
InChIInChI=1S/C7H11N/c1-5(2)7(8)6(3)4/h8H,1,3H2,2,4H3
InChIKeyQJFFQFCXCXGEIQ-UHFFFAOYSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.16
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 2,4-dimethylpenta-1,4-dien-3-imine?
The IUPAC name of 2,4-dimethylpenta-1,4-dien-3-imine (CID 142280306) is 2,4-dimethylpenta-1,4-dien-3-imine.
What is the SMILES notation for 2,4-dimethylpenta-1,4-dien-3-imine?
The canonical SMILES for 2,4-dimethylpenta-1,4-dien-3-imine is [H]N=C(C(=C)C)C(=C)C.
What is the InChIKey of 2,4-dimethylpenta-1,4-dien-3-imine?
The InChIKey is QJFFQFCXCXGEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5(2)7(8)6(3)4/h8H,1,3H2,2,4H3.
What are the key properties of 2,4-dimethylpenta-1,4-dien-3-imine?
2,4-dimethylpenta-1,4-dien-3-imine has a molecular weight of 109.17 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpenta-1,4-dien-3-imine is sourced from PubChem (CID 142280306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).