ethane;N,2,2-trimethylaziridine-1-carboxamide

C10H24N2O — CID 143449913

IUPACethane;N,2,2-trimethylaziridine-1-carboxamide
SMILESCC.CC.CNC(=O)N1CC1(C)C
InChIInChI=1S/C6H12N2O.2C2H6/c1-6(2)4-8(6)5(9)7-3;2*1-2/h4H2,1-3H3,(H,7,9);2*1-2H3
InChIKeyCZDIMGSUYQFKKI-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.47
Rot. Bonds

About ethane;N,2,2-trimethylaziridine-1-carboxamide

ethane;N,2,2-trimethylaziridine-1-carboxamide (PubChem CID 143449913) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is ethane;N,2,2-trimethylaziridine-1-carboxamide.

Molecular Properties

Compound Nameethane;N,2,2-trimethylaziridine-1-carboxamide
PubChem CID143449913
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Nameethane;N,2,2-trimethylaziridine-1-carboxamide
SMILESCC.CC.CNC(=O)N1CC1(C)C
InChIInChI=1S/C6H12N2O.2C2H6/c1-6(2)4-8(6)5(9)7-3;2*1-2/h4H2,1-3H3,(H,7,9);2*1-2H3
InChIKeyCZDIMGSUYQFKKI-UHFFFAOYSA-N
XLogP2.47
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N,2,2-trimethylaziridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N,2,2-trimethylaziridine-1-carboxamide?
The IUPAC name of ethane;N,2,2-trimethylaziridine-1-carboxamide (CID 143449913) is ethane;N,2,2-trimethylaziridine-1-carboxamide.
What is the SMILES notation for ethane;N,2,2-trimethylaziridine-1-carboxamide?
The canonical SMILES for ethane;N,2,2-trimethylaziridine-1-carboxamide is CC.CC.CNC(=O)N1CC1(C)C.
What is the InChIKey of ethane;N,2,2-trimethylaziridine-1-carboxamide?
The InChIKey is CZDIMGSUYQFKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.2C2H6/c1-6(2)4-8(6)5(9)7-3;2*1-2/h4H2,1-3H3,(H,7,9);2*1-2H3.
What are the key properties of ethane;N,2,2-trimethylaziridine-1-carboxamide?
ethane;N,2,2-trimethylaziridine-1-carboxamide has a molecular weight of 188.31 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,2,2-trimethylaziridine-1-carboxamide is sourced from PubChem (CID 143449913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).