3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide

C13H25N3O — CID 114176601

IUPAC3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide
SMILESCNC1CC2CCC(C1)N2C(C(N)=O)C(C)C
InChIInChI=1S/C13H25N3O/c1-8(2)12(13(14)17)16-10-4-5-11(16)7-9(6-10)15-3/h8-12,15H,4-7H2,1-3H3,(H2,14,17)
InChIKeyPYZQLHNQWQBUFQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.71
Rot. Bonds4

About 3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide

3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide (PubChem CID 114176601) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide.

Molecular Properties

Compound Name3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide
PubChem CID114176601
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide
SMILESCNC1CC2CCC(C1)N2C(C(N)=O)C(C)C
InChIInChI=1S/C13H25N3O/c1-8(2)12(13(14)17)16-10-4-5-11(16)7-9(6-10)15-3/h8-12,15H,4-7H2,1-3H3,(H2,14,17)
InChIKeyPYZQLHNQWQBUFQ-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide 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

methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
CID 62739694
N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
CID 62738654
8-(1-cyclopropylethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738959
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanamide
CID 43545311
N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 114130093
2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 62713460
8-[1-(dimethylamino)-4-methylpentan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106813
tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 146394343
5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide
CID 106239200
3-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzamide
CID 107810383
tert-butyl (1S,5S)-3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98122671
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide
CID 63770170

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide?
The IUPAC name of 3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide (CID 114176601) is 3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide.
What is the SMILES notation for 3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide?
The canonical SMILES for 3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide is CNC1CC2CCC(C1)N2C(C(N)=O)C(C)C.
What is the InChIKey of 3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide?
The InChIKey is PYZQLHNQWQBUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-8(2)12(13(14)17)16-10-4-5-11(16)7-9(6-10)15-3/h8-12,15H,4-7H2,1-3H3,(H2,14,17).
What are the key properties of 3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide?
3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide has a molecular weight of 239.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide is sourced from PubChem (CID 114176601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).