1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide

C13H22N2O — CID 80501552

IUPAC1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide
SMILESCC(C)CCN(C)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C13H22N2O/c1-10(2)5-6-15(4)12(16)13(9-14)7-11(3)8-13/h10-11H,5-8H2,1-4H3
InChIKeyJCJMOHUKNOMAHJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.43
Rot. Bonds4

About 1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide

1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide (PubChem CID 80501552) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide
PubChem CID80501552
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide
SMILESCC(C)CCN(C)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C13H22N2O/c1-10(2)5-6-15(4)12(16)13(9-14)7-11(3)8-13/h10-11H,5-8H2,1-4H3
InChIKeyJCJMOHUKNOMAHJ-UHFFFAOYSA-N
XLogP2.43
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide (CID 80501552) is 1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide is CC(C)CCN(C)C(=O)C1(C#N)CC(C)C1.
What is the InChIKey of 1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide?
The InChIKey is JCJMOHUKNOMAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)5-6-15(4)12(16)13(9-14)7-11(3)8-13/h10-11H,5-8H2,1-4H3.
What are the key properties of 1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide?
1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N,3-dimethyl-N-(3-methylbutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80501552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).