2,4-dimethylpent-1-en-3-imine

C7H13N — CID 91148130

IUPAC2,4-dimethylpent-1-en-3-imine
SMILES[H]/N=C(\C(=C)C)C(C)C
InChIInChI=1S/C7H13N/c1-5(2)7(8)6(3)4/h6,8H,1H2,2-4H3/b8-7+
InChIKeyJEBITTHSYHQEBE-BQYQJAHWSA-N
MW111.19 g/mol
LogP2.24
Rot. Bonds2

About 2,4-dimethylpent-1-en-3-imine

2,4-dimethylpent-1-en-3-imine (PubChem CID 91148130) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2,4-dimethylpent-1-en-3-imine.

Molecular Properties

Compound Name2,4-dimethylpent-1-en-3-imine
PubChem CID91148130
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2,4-dimethylpent-1-en-3-imine
SMILES[H]/N=C(\C(=C)C)C(C)C
InChIInChI=1S/C7H13N/c1-5(2)7(8)6(3)4/h6,8H,1H2,2-4H3/b8-7+
InChIKeyJEBITTHSYHQEBE-BQYQJAHWSA-N
XLogP2.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

2,4-dimethylpent-1-en-3-imine;ethane
CID 156721750
2-imino-3-methylbutanoyl chloride
CID 142079723
3-methylbutan-2-imine
CID 20811318
propan-2-yl 2-imino-3-methylbutanoate
CID 90949713
(4Z)-2,6-dimethylhepta-1,4-dien-3-imine
CID 123954860
(3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine
CID 176949454
(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine
CID 166998459
CID 58318985
CID 58318985
3-imino-4-methylhexan-2-one
CID 174544860
6-methyl-5-methylideneoctan-2-imine
CID 123962275
(2S)-3-imino-N-methylbutan-2-amine
CID 147887389
(Z)-4-ethyl-2-methyloct-4-en-3-imine
CID 176962442

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpent-1-en-3-imine?
The IUPAC name of 2,4-dimethylpent-1-en-3-imine (CID 91148130) is 2,4-dimethylpent-1-en-3-imine.
What is the SMILES notation for 2,4-dimethylpent-1-en-3-imine?
The canonical SMILES for 2,4-dimethylpent-1-en-3-imine is [H]/N=C(\C(=C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpent-1-en-3-imine?
The InChIKey is JEBITTHSYHQEBE-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13N/c1-5(2)7(8)6(3)4/h6,8H,1H2,2-4H3/b8-7+.
What are the key properties of 2,4-dimethylpent-1-en-3-imine?
2,4-dimethylpent-1-en-3-imine has a molecular weight of 111.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpent-1-en-3-imine is sourced from PubChem (CID 91148130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).