N-tert-butyl-2,2-dimethylaziridine-1-carboxamide

C9H18N2O — CID 6421081

IUPACN-tert-butyl-2,2-dimethylaziridine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC1(C)C
InChIInChI=1S/C9H18N2O/c1-8(2,3)10-7(12)11-6-9(11,4)5/h6H2,1-5H3,(H,10,12)
InChIKeyHSHIUADKLRLLLO-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.59
Rot. Bonds

About N-tert-butyl-2,2-dimethylaziridine-1-carboxamide

N-tert-butyl-2,2-dimethylaziridine-1-carboxamide (PubChem CID 6421081) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethylaziridine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethylaziridine-1-carboxamide
PubChem CID6421081
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-tert-butyl-2,2-dimethylaziridine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC1(C)C
InChIInChI=1S/C9H18N2O/c1-8(2,3)10-7(12)11-6-9(11,4)5/h6H2,1-5H3,(H,10,12)
InChIKeyHSHIUADKLRLLLO-UHFFFAOYSA-N
XLogP1.59
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.59
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 N-tert-butyl-2,2-dimethylaziridine-1-carboxamide?
The IUPAC name of N-tert-butyl-2,2-dimethylaziridine-1-carboxamide (CID 6421081) is N-tert-butyl-2,2-dimethylaziridine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2,2-dimethylaziridine-1-carboxamide?
The canonical SMILES for N-tert-butyl-2,2-dimethylaziridine-1-carboxamide is CC(C)(C)NC(=O)N1CC1(C)C.
What is the InChIKey of N-tert-butyl-2,2-dimethylaziridine-1-carboxamide?
The InChIKey is HSHIUADKLRLLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2,3)10-7(12)11-6-9(11,4)5/h6H2,1-5H3,(H,10,12).
What are the key properties of N-tert-butyl-2,2-dimethylaziridine-1-carboxamide?
N-tert-butyl-2,2-dimethylaziridine-1-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethylaziridine-1-carboxamide is sourced from PubChem (CID 6421081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).