N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride

C15H29ClN2O — CID 119455472

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride
SMILESCC(CC(=O)NC1CC2CCC(C1)N2)C(C)(C)C.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-10(15(2,3)4)7-14(18)17-13-8-11-5-6-12(9-13)16-11;/h10-13,16H,5-9H2,1-4H3,(H,17,18);1H
InChIKeyAVXPUGABJFVCMQ-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.88
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride (PubChem CID 119455472) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride
PubChem CID119455472
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride
SMILESCC(CC(=O)NC1CC2CCC(C1)N2)C(C)(C)C.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-10(15(2,3)4)7-14(18)17-13-8-11-5-6-12(9-13)16-11;/h10-13,16H,5-9H2,1-4H3,(H,17,18);1H
InChIKeyAVXPUGABJFVCMQ-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.88
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-methylbutanamide;hydrochloride
CID 119457462
N-cyclopropyl-3,4,4-trimethylpentanamide
CID 63820853
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119455659
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride
CID 119459254
3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66031744
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide
CID 119455463
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)butanamide
CID 61233297
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropanamide
CID 61237375

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride (CID 119455472) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride is CC(CC(=O)NC1CC2CCC(C1)N2)C(C)(C)C.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride?
The InChIKey is AVXPUGABJFVCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-10(15(2,3)4)7-14(18)17-13-8-11-5-6-12(9-13)16-11;/h10-13,16H,5-9H2,1-4H3,(H,17,18);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.88, 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)-3,4,4-trimethylpentanamide;hydrochloride is sourced from PubChem (CID 119455472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).