3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile

C17H24N2O — CID 166063037

IUPAC3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile
SMILESCc1ccc(OC2C(C)(C)C(N)C2(C)C)c(C)c1C#N
InChIInChI=1S/C17H24N2O/c1-10-7-8-13(11(2)12(10)9-18)20-15-16(3,4)14(19)17(15,5)6/h7-8,14-15H,19H2,1-6H3
InChIKeyRUMKQWNJSZBYNM-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.32
Rot. Bonds2

About 3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile

3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile (PubChem CID 166063037) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile.

Molecular Properties

Compound Name3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile
PubChem CID166063037
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile
SMILESCc1ccc(OC2C(C)(C)C(N)C2(C)C)c(C)c1C#N
InChIInChI=1S/C17H24N2O/c1-10-7-8-13(11(2)12(10)9-18)20-15-16(3,4)14(19)17(15,5)6/h7-8,14-15H,19H2,1-6H3
InChIKeyRUMKQWNJSZBYNM-UHFFFAOYSA-N
XLogP3.32
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile?
The IUPAC name of 3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile (CID 166063037) is 3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile.
What is the SMILES notation for 3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile?
The canonical SMILES for 3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile is Cc1ccc(OC2C(C)(C)C(N)C2(C)C)c(C)c1C#N.
What is the InChIKey of 3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile?
The InChIKey is RUMKQWNJSZBYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-10-7-8-13(11(2)12(10)9-18)20-15-16(3,4)14(19)17(15,5)6/h7-8,14-15H,19H2,1-6H3.
What are the key properties of 3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile?
3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile is sourced from PubChem (CID 166063037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).