2,3,4-trimethylazete

C6H9N — CID 154556462

IUPAC2,3,4-trimethylazete
SMILESCC1=NC(C)=C1C
InChIInChI=1S/C6H9N/c1-4-5(2)7-6(4)3/h1-3H3
InChIKeyUWHYUVFUFSSYKS-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.75
Rot. Bonds

About 2,3,4-trimethylazete

2,3,4-trimethylazete (PubChem CID 154556462) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 2,3,4-trimethylazete.

Molecular Properties

Compound Name2,3,4-trimethylazete
PubChem CID154556462
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name2,3,4-trimethylazete
SMILESCC1=NC(C)=C1C
InChIInChI=1S/C6H9N/c1-4-5(2)7-6(4)3/h1-3H3
InChIKeyUWHYUVFUFSSYKS-UHFFFAOYSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 9793719
N,3,4-trimethylpent-3-en-2-imine
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2,3,4-Triethylazete
CID 57185997
4,5-Dimethyl-2,3-dihydropyrrol-2-ide;yttrium
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3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine
CID 88274729
N-(3-methylpent-2-en-2-yl)propan-2-imine
CID 123477094
N-(1-cyclopropylideneethyl)butan-2-imine
CID 123591135
N-(3-methylpent-2-en-2-yl)butan-2-imine
CID 123767604
(Z)-2-N,3-dimethyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 142025963
ethane;3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine
CID 143063423
N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine
CID 143444586
(E)-2-N,3-dimethyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 145147611

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylazete?
The IUPAC name of 2,3,4-trimethylazete (CID 154556462) is 2,3,4-trimethylazete.
What is the SMILES notation for 2,3,4-trimethylazete?
The canonical SMILES for 2,3,4-trimethylazete is CC1=NC(C)=C1C.
What is the InChIKey of 2,3,4-trimethylazete?
The InChIKey is UWHYUVFUFSSYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-4-5(2)7-6(4)3/h1-3H3.
What are the key properties of 2,3,4-trimethylazete?
2,3,4-trimethylazete has a molecular weight of 95.14 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylazete is sourced from PubChem (CID 154556462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).