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

C9H19N — CID 143116875

IUPAC3,4-dimethylpent-3-en-2-imine;ethane
SMILESCC.[H]/N=C(\C)C(C)=C(C)C
InChIInChI=1S/C7H13N.C2H6/c1-5(2)6(3)7(4)8;1-2/h8H,1-4H3;1-2H3/b8-7+;
InChIKeyJTLFSHLLKGSSET-USRGLUTNSA-N
MW141.26 g/mol
LogP3.41
Rot. Bonds1

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

3,4-dimethylpent-3-en-2-imine;ethane (PubChem CID 143116875) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3,4-dimethylpent-3-en-2-imine;ethane.

Molecular Properties

Compound Name3,4-dimethylpent-3-en-2-imine;ethane
PubChem CID143116875
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3,4-dimethylpent-3-en-2-imine;ethane
SMILESCC.[H]/N=C(\C)C(C)=C(C)C
InChIInChI=1S/C7H13N.C2H6/c1-5(2)6(3)7(4)8;1-2/h8H,1-4H3;1-2H3/b8-7+;
InChIKeyJTLFSHLLKGSSET-USRGLUTNSA-N
XLogP3.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.41
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

2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
(Z)-3-fluoro-4-methylhex-3-en-2-imine
CID 156837493
3-Methylpent-3-en-2-imine
CID 15835473
6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
(E)-3-methylpent-3-en-2-imine
CID 22944994
4-Ethyl-3-methylhex-3-en-2-imine
CID 88311275
(Z)-3-methyl-4-phosphanylpent-3-en-2-imine
CID 89132193
(3Z)-3,5,6-trimethylhepta-3,5-dien-2-imine
CID 89961042
(3Z,5Z)-3,4,5-trimethylhepta-3,5-dien-2-imine
CID 89961046
(3E)-3,4,5-trimethylhepta-3,5,6-trien-2-imine
CID 90745174
(Z)-3-methylhept-3-en-2-imine
CID 90869422
3,4-Dimethylhex-3-en-2-imine
CID 90892310

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-3-en-2-imine;ethane?
The IUPAC name of 3,4-dimethylpent-3-en-2-imine;ethane (CID 143116875) is 3,4-dimethylpent-3-en-2-imine;ethane.
What is the SMILES notation for 3,4-dimethylpent-3-en-2-imine;ethane?
The canonical SMILES for 3,4-dimethylpent-3-en-2-imine;ethane is CC.[H]/N=C(\C)C(C)=C(C)C.
What is the InChIKey of 3,4-dimethylpent-3-en-2-imine;ethane?
The InChIKey is JTLFSHLLKGSSET-USRGLUTNSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-5(2)6(3)7(4)8;1-2/h8H,1-4H3;1-2H3/b8-7+;.
What are the key properties of 3,4-dimethylpent-3-en-2-imine;ethane?
3,4-dimethylpent-3-en-2-imine;ethane has a molecular weight of 141.26 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-3-en-2-imine;ethane is sourced from PubChem (CID 143116875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).