N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide

C11H20N2O — CID 131198216

IUPACN-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1C2CNCC1C2
InChIInChI=1S/C11H20N2O/c1-7(2)3-10(14)13-11-8-4-9(11)6-12-5-8/h7-9,11-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyWBQPYRQXQALDDY-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.76
Rot. Bonds3

About N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide

N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide (PubChem CID 131198216) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide
PubChem CID131198216
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1C2CNCC1C2
InChIInChI=1S/C11H20N2O/c1-7(2)3-10(14)13-11-8-4-9(11)6-12-5-8/h7-9,11-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyWBQPYRQXQALDDY-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-adamantyl)-3-methylbutanamide
CID 959856
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide
CID 63833653
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-3-methylbutanamide
CID 115267741
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide
CID 104982241
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
CID 119457462
N-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride
CID 120655829
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
CID 119449816
tert-butyl N-(3-azabicyclo[3.1.1]heptan-6-yl)carbamate;oxalic acid
CID 75525774
N-(2-adamantyl)-2-(azetidin-3-yl)acetamide
CID 64618558
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide
CID 112603310
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide?
The IUPAC name of N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide (CID 131198216) is N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide?
The canonical SMILES for N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide is CC(C)CC(=O)NC1C2CNCC1C2.
What is the InChIKey of N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide?
The InChIKey is WBQPYRQXQALDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(2)3-10(14)13-11-8-4-9(11)6-12-5-8/h7-9,11-12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide?
N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide has a molecular weight of 196.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide is sourced from PubChem (CID 131198216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).