3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide

C12H23N3O — CID 106274781

IUPAC3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide
SMILESCC(C)(CNC1CCN2CCC1C2)C(N)=O
InChIInChI=1S/C12H23N3O/c1-12(2,11(13)16)8-14-10-4-6-15-5-3-9(10)7-15/h9-10,14H,3-8H2,1-2H3,(H2,13,16)
InChIKeyYYKKKIXJGMANQT-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.18
Rot. Bonds4

About 3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide

3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide (PubChem CID 106274781) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide
PubChem CID106274781
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide
SMILESCC(C)(CNC1CCN2CCC1C2)C(N)=O
InChIInChI=1S/C12H23N3O/c1-12(2,11(13)16)8-14-10-4-6-15-5-3-9(10)7-15/h9-10,14H,3-8H2,1-2H3,(H2,13,16)
InChIKeyYYKKKIXJGMANQT-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide 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

tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate
CID 107249884
2-(1-azabicyclo[3.2.1]octan-4-ylamino)acetamide
CID 105363555
N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364921
tert-butyl 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]piperidine-1-carboxylate
CID 107241575
3-(cyclopentylamino)-2,2-dimethylpropanamide
CID 103617377
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide
CID 105363868
3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide
CID 106276490
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid
CID 105366139
3-[(2-methoxycyclohexyl)amino]-2,2-dimethylpropanamide
CID 106274861
2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
CID 106275148
2,2-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanamide
CID 106275991
4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 105366218

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide?
The IUPAC name of 3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide (CID 106274781) is 3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide is CC(C)(CNC1CCN2CCC1C2)C(N)=O.
What is the InChIKey of 3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide?
The InChIKey is YYKKKIXJGMANQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,11(13)16)8-14-10-4-6-15-5-3-9(10)7-15/h9-10,14H,3-8H2,1-2H3,(H2,13,16).
What are the key properties of 3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide?
3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide has a molecular weight of 225.34 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide is sourced from PubChem (CID 106274781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).