N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide

C11H20N2O — CID 89460475

IUPACN-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide
SMILESCC(=O)NC1C2CN(C(C)(C)C)CC21
InChIInChI=1S/C11H20N2O/c1-7(14)12-10-8-5-13(6-9(8)10)11(2,3)4/h8-10H,5-6H2,1-4H3,(H,12,14)
InChIKeyXTKULXJITGKJFG-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds1

About N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide

N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide (PubChem CID 89460475) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide
PubChem CID89460475
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide
SMILESCC(=O)NC1C2CN(C(C)(C)C)CC21
InChIInChI=1S/C11H20N2O/c1-7(14)12-10-8-5-13(6-9(8)10)11(2,3)4/h8-10H,5-6H2,1-4H3,(H,12,14)
InChIKeyXTKULXJITGKJFG-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-tert-butylazetidin-3-yl)acetamide
CID 58877828
N-(8-bicyclo[5.1.0]octanyl)acetamide
CID 130011496
N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide
CID 58182173
N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide
CID 129256410
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
CID 90396044
4-N,6-N,2-tritert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-4,6-dicarboxamide
CID 171748853
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 11789290
N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide
CID 68571558
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
1-[(4S)-1-tert-butyl-4-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethylpropan-1-one
CID 154971064
2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone
CID 159454213
3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide
CID 156678207

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide?
The IUPAC name of N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide (CID 89460475) is N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide?
The canonical SMILES for N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide is CC(=O)NC1C2CN(C(C)(C)C)CC21.
What is the InChIKey of N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide?
The InChIKey is XTKULXJITGKJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(14)12-10-8-5-13(6-9(8)10)11(2,3)4/h8-10H,5-6H2,1-4H3,(H,12,14).
What are the key properties of N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide?
N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide has a molecular weight of 196.29 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide is sourced from PubChem (CID 89460475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).