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

C9H19N — CID 156721750

IUPAC2,4-dimethylpent-1-en-3-imine;ethane
SMILESCC.[H]/N=C(\C(=C)C)C(C)C
InChIInChI=1S/C7H13N.C2H6/c1-5(2)7(8)6(3)4;1-2/h6,8H,1H2,2-4H3;1-2H3/b8-7+;
InChIKeyVOPZLNYPFWXFQY-USRGLUTNSA-N
MW141.26 g/mol
LogP3.26
Rot. Bonds2

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

2,4-dimethylpent-1-en-3-imine;ethane (PubChem CID 156721750) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2,4-dimethylpent-1-en-3-imine;ethane.

Molecular Properties

Compound Name2,4-dimethylpent-1-en-3-imine;ethane
PubChem CID156721750
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2,4-dimethylpent-1-en-3-imine;ethane
SMILESCC.[H]/N=C(\C(=C)C)C(C)C
InChIInChI=1S/C7H13N.C2H6/c1-5(2)7(8)6(3)4;1-2/h6,8H,1H2,2-4H3;1-2H3/b8-7+;
InChIKeyVOPZLNYPFWXFQY-USRGLUTNSA-N
XLogP3.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.26
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
CID 91148130
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
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
ethane;N-propan-2-yl-N-[3-(propan-2-ylideneamino)buta-1,3-dien-2-yl]ethanimidamide
CID 143928124
3-imino-4-methylhexan-2-one
CID 174544860
6-methyl-5-methylideneoctan-2-imine
CID 123962275

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpent-1-en-3-imine;ethane?
The IUPAC name of 2,4-dimethylpent-1-en-3-imine;ethane (CID 156721750) is 2,4-dimethylpent-1-en-3-imine;ethane.
What is the SMILES notation for 2,4-dimethylpent-1-en-3-imine;ethane?
The canonical SMILES for 2,4-dimethylpent-1-en-3-imine;ethane is CC.[H]/N=C(\C(=C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpent-1-en-3-imine;ethane?
The InChIKey is VOPZLNYPFWXFQY-USRGLUTNSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-5(2)7(8)6(3)4;1-2/h6,8H,1H2,2-4H3;1-2H3/b8-7+;.
What are the key properties of 2,4-dimethylpent-1-en-3-imine;ethane?
2,4-dimethylpent-1-en-3-imine;ethane has a molecular weight of 141.26 g/mol, XLogP of 3.26, 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;ethane is sourced from PubChem (CID 156721750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).