4,4-dimethylpent-1-en-3-imine

C7H13N — CID 15183813

IUPAC4,4-dimethylpent-1-en-3-imine
SMILES[H]/N=C(\C=C)C(C)(C)C
InChIInChI=1S/C7H13N/c1-5-6(8)7(2,3)4/h5,8H,1H2,2-4H3/b8-6+
InChIKeyVGRHKYITOQSLOT-SOFGYWHQSA-N
MW111.19 g/mol
LogP2.24
Rot. Bonds1

About 4,4-dimethylpent-1-en-3-imine

4,4-dimethylpent-1-en-3-imine (PubChem CID 15183813) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 4,4-dimethylpent-1-en-3-imine.

Molecular Properties

Compound Name4,4-dimethylpent-1-en-3-imine
PubChem CID15183813
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name4,4-dimethylpent-1-en-3-imine
SMILES[H]/N=C(\C=C)C(C)(C)C
InChIInChI=1S/C7H13N/c1-5-6(8)7(2,3)4/h5,8H,1H2,2-4H3/b8-6+
InChIKeyVGRHKYITOQSLOT-SOFGYWHQSA-N
XLogP2.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.24
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 4,4-dimethylpent-1-en-3-imine?
The IUPAC name of 4,4-dimethylpent-1-en-3-imine (CID 15183813) is 4,4-dimethylpent-1-en-3-imine.
What is the SMILES notation for 4,4-dimethylpent-1-en-3-imine?
The canonical SMILES for 4,4-dimethylpent-1-en-3-imine is [H]/N=C(\C=C)C(C)(C)C.
What is the InChIKey of 4,4-dimethylpent-1-en-3-imine?
The InChIKey is VGRHKYITOQSLOT-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13N/c1-5-6(8)7(2,3)4/h5,8H,1H2,2-4H3/b8-6+.
What are the key properties of 4,4-dimethylpent-1-en-3-imine?
4,4-dimethylpent-1-en-3-imine has a molecular weight of 111.19 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpent-1-en-3-imine is sourced from PubChem (CID 15183813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).