1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine

C11H19N — CID 138580899

IUPAC1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine
SMILES[H]/N=C(\C1CCC1)C(C)(C)C(=C)C
InChIInChI=1S/C11H19N/c1-8(2)11(3,4)10(12)9-6-5-7-9/h9,12H,1,5-7H2,2-4H3/b12-10+
InChIKeyOBIDVKITMYZROR-ZRDIBKRKSA-N
MW165.28 g/mol
LogP3.41
Rot. Bonds3

About 1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine

1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine (PubChem CID 138580899) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine.

Molecular Properties

Compound Name1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine
PubChem CID138580899
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine
SMILES[H]/N=C(\C1CCC1)C(C)(C)C(=C)C
InChIInChI=1S/C11H19N/c1-8(2)11(3,4)10(12)9-6-5-7-9/h9,12H,1,5-7H2,2-4H3/b12-10+
InChIKeyOBIDVKITMYZROR-ZRDIBKRKSA-N
XLogP3.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine?
The IUPAC name of 1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine (CID 138580899) is 1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine.
What is the SMILES notation for 1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine?
The canonical SMILES for 1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine is [H]/N=C(\C1CCC1)C(C)(C)C(=C)C.
What is the InChIKey of 1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine?
The InChIKey is OBIDVKITMYZROR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)11(3,4)10(12)9-6-5-7-9/h9,12H,1,5-7H2,2-4H3/b12-10+.
What are the key properties of 1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine?
1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2,2,3-trimethylbut-3-en-1-imine is sourced from PubChem (CID 138580899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).