3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile

C11H19N — CID 139409211

IUPAC3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile
SMILESCC(C)(C)CC1CC(C)(C#N)C1
InChIInChI=1S/C11H19N/c1-10(2,3)5-9-6-11(4,7-9)8-12/h9H,5-7H2,1-4H3
InChIKeyFGMCZVYBLFYIHK-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.36
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile

3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile (PubChem CID 139409211) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile
PubChem CID139409211
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile
SMILESCC(C)(C)CC1CC(C)(C#N)C1
InChIInChI=1S/C11H19N/c1-10(2,3)5-9-6-11(4,7-9)8-12/h9H,5-7H2,1-4H3
InChIKeyFGMCZVYBLFYIHK-UHFFFAOYSA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile (CID 139409211) is 3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile is CC(C)(C)CC1CC(C)(C#N)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile?
The InChIKey is FGMCZVYBLFYIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10(2,3)5-9-6-11(4,7-9)8-12/h9H,5-7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile?
3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile has a molecular weight of 165.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 139409211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).