2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine

C13H27N — CID 157372202

IUPAC2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine
SMILESCC(C)=CC(C)C.CC(C)=NC(C)C
InChIInChI=1S/C7H14.C6H13N/c1-6(2)5-7(3)4;1-5(2)7-6(3)4/h5-6H,1-4H3;5H,1-4H3
InChIKeyBJWYEURPJZTCSF-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.48
Rot. Bonds2

About 2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine

2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine (PubChem CID 157372202) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine.

Molecular Properties

Compound Name2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine
PubChem CID157372202
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine
SMILESCC(C)=CC(C)C.CC(C)=NC(C)C
InChIInChI=1S/C7H14.C6H13N/c1-6(2)5-7(3)4;1-5(2)7-6(3)4/h5-6H,1-4H3;5H,1-4H3
InChIKeyBJWYEURPJZTCSF-UHFFFAOYSA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine?
The IUPAC name of 2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine (CID 157372202) is 2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine.
What is the SMILES notation for 2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine?
The canonical SMILES for 2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine is CC(C)=CC(C)C.CC(C)=NC(C)C.
What is the InChIKey of 2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine?
The InChIKey is BJWYEURPJZTCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H13N/c1-6(2)5-7(3)4;1-5(2)7-6(3)4/h5-6H,1-4H3;5H,1-4H3.
What are the key properties of 2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine?
2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine has a molecular weight of 197.37 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpent-2-ene;N-propan-2-ylpropan-2-imine is sourced from PubChem (CID 157372202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).