(5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide

C12H20N2O2 — CID 170060595

IUPAC(5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCC(C)C(=O)N1CCC2CC21C(=O)N(C)C
InChIInChI=1S/C12H20N2O2/c1-8(2)10(15)14-6-5-9-7-12(9,14)11(16)13(3)4/h8-9H,5-7H2,1-4H3
InChIKeyNTYDQLWWIQLGED-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.72
Rot. Bonds2

About (5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide

(5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 170060595) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name(5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID170060595
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCC(C)C(=O)N1CCC2CC21C(=O)N(C)C
InChIInChI=1S/C12H20N2O2/c1-8(2)10(15)14-6-5-9-7-12(9,14)11(16)13(3)4/h8-9H,5-7H2,1-4H3
InChIKeyNTYDQLWWIQLGED-UHFFFAOYSA-N
XLogP0.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-2-[(2R)-2-hydroxy-3,3-dimethylbutanoyl]-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 91268674
2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide
CID 12537186
1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone
CID 170366318
1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
CID 176769050
1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 115268920
2-methyl-1-(2,2,3,3-tetramethylazetidin-1-yl)propan-1-one
CID 130734832
2-acetyl-N,N-dimethyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
CID 162762226
(1S,5R)-2-ethyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 118116625
(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 98511309
(1R,4S,6S)-6-bromo-4-(dibromomethyl)-N,N,5,5-tetramethylbicyclo[2.1.1]hexane-1-carboxamide
CID 98142940
1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one
CID 54261478
N,N,2,2-tetramethylaziridine-1-carboxamide
CID 45084186

Frequently Asked Questions

What is the IUPAC name of (5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of (5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide (CID 170060595) is (5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for (5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for (5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide is CC(C)C(=O)N1CCC2CC21C(=O)N(C)C.
What is the InChIKey of (5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is NTYDQLWWIQLGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)10(15)14-6-5-9-7-12(9,14)11(16)13(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of (5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide?
(5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 170060595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).