N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride

C12H23ClN2O — CID 119457462

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-8(2)5-12(15)14-11-6-9-3-4-10(7-11)13-9;/h8-11,13H,3-7H2,1-2H3,(H,14,15);1H
InChIKeyBYQIQAXTKZAQHR-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.85
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride (PubChem CID 119457462) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
PubChem CID119457462
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-8(2)5-12(15)14-11-6-9-3-4-10(7-11)13-9;/h8-11,13H,3-7H2,1-2H3,(H,14,15);1H
InChIKeyBYQIQAXTKZAQHR-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dimethylpentanamide;hydrochloride
CID 119459568
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119455472
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 119459369
N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride
CID 119456671
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride
CID 119456810
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119455659
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide
CID 119455463
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride
CID 119459616
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride
CID 119459254
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methoxypropanamide
CID 115736861
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxypropanamide
CID 62589135

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride (CID 119457462) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride is CC(C)CC(=O)NC1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride?
The InChIKey is BYQIQAXTKZAQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-8(2)5-12(15)14-11-6-9-3-4-10(7-11)13-9;/h8-11,13H,3-7H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119457462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).