3,3-dimethylcyclobutan-1-imine

C6H11N — CID 101145197

IUPAC3,3-dimethylcyclobutan-1-imine
SMILES[H]N=C1CC(C)(C)C1
InChIInChI=1S/C6H11N/c1-6(2)3-5(7)4-6/h7H,3-4H2,1-2H3
InChIKeyYNGIEASWBOAFSH-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.83
Rot. Bonds

About 3,3-dimethylcyclobutan-1-imine

3,3-dimethylcyclobutan-1-imine (PubChem CID 101145197) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3,3-dimethylcyclobutan-1-imine.

Molecular Properties

Compound Name3,3-dimethylcyclobutan-1-imine
PubChem CID101145197
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3,3-dimethylcyclobutan-1-imine
SMILES[H]N=C1CC(C)(C)C1
InChIInChI=1S/C6H11N/c1-6(2)3-5(7)4-6/h7H,3-4H2,1-2H3
InChIKeyYNGIEASWBOAFSH-UHFFFAOYSA-N
XLogP1.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylcyclobutan-1-imine?
The IUPAC name of 3,3-dimethylcyclobutan-1-imine (CID 101145197) is 3,3-dimethylcyclobutan-1-imine.
What is the SMILES notation for 3,3-dimethylcyclobutan-1-imine?
The canonical SMILES for 3,3-dimethylcyclobutan-1-imine is [H]N=C1CC(C)(C)C1.
What is the InChIKey of 3,3-dimethylcyclobutan-1-imine?
The InChIKey is YNGIEASWBOAFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6(2)3-5(7)4-6/h7H,3-4H2,1-2H3.
What are the key properties of 3,3-dimethylcyclobutan-1-imine?
3,3-dimethylcyclobutan-1-imine has a molecular weight of 97.16 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylcyclobutan-1-imine is sourced from PubChem (CID 101145197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).