2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide

C11H22N2O — CID 6421387

IUPAC2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide
SMILESCCC(C)(C)NC(=O)N1C(C)C1(C)C
InChIInChI=1S/C11H22N2O/c1-7-10(3,4)12-9(14)13-8(2)11(13,5)6/h8H,7H2,1-6H3,(H,12,14)
InChIKeyXRYLDTJLYLIDPK-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.37
Rot. Bonds2

About 2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide

2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide (PubChem CID 6421387) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide.

Molecular Properties

Compound Name2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide
PubChem CID6421387
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide
SMILESCCC(C)(C)NC(=O)N1C(C)C1(C)C
InChIInChI=1S/C11H22N2O/c1-7-10(3,4)12-9(14)13-8(2)11(13,5)6/h8H,7H2,1-6H3,(H,12,14)
InChIKeyXRYLDTJLYLIDPK-UHFFFAOYSA-N
XLogP2.37
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide?
The IUPAC name of 2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide (CID 6421387) is 2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide.
What is the SMILES notation for 2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide?
The canonical SMILES for 2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide is CCC(C)(C)NC(=O)N1C(C)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide?
The InChIKey is XRYLDTJLYLIDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7-10(3,4)12-9(14)13-8(2)11(13,5)6/h8H,7H2,1-6H3,(H,12,14).
What are the key properties of 2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide?
2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-N-(2-methylbutan-2-yl)aziridine-1-carboxamide is sourced from PubChem (CID 6421387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).