N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide

C23H38N2O — CID 7403502

IUPACN-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide
SMILESCCCCN1[C@H]2CCC[C@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C23H38N2O/c1-2-3-7-25-20-5-4-6-21(25)12-19(11-20)24-22(26)23-13-16-8-17(14-23)10-18(9-16)15-23/h16-21H,2-15H2,1H3,(H,24,26)/t16?,17?,18?,20-,21-,23?/m0/s1
InChIKeyAZZGXBSBHMXPPG-RRUIWAFLSA-N
MW358.57 g/mol
LogP4.50
Rot. Bonds5

About N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide

N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide (PubChem CID 7403502) has the molecular formula C23H38N2O and a molecular weight of 358.57 g/mol. Its IUPAC name is N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide
PubChem CID7403502
Molecular FormulaC23H38N2O
Molecular Weight358.57 g/mol
Exact Mass358.30
IUPAC NameN-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide
SMILESCCCCN1[C@H]2CCC[C@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C23H38N2O/c1-2-3-7-25-20-5-4-6-21(25)12-19(11-20)24-22(26)23-13-16-8-17(14-23)10-18(9-16)15-23/h16-21H,2-15H2,1H3,(H,24,26)/t16?,17?,18?,20-,21-,23?/m0/s1
InChIKeyAZZGXBSBHMXPPG-RRUIWAFLSA-N
XLogP4.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide with MolForge

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Related Compounds

N-[(1S,5S)-9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide
CID 7403451
N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide
CID 94043121
N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide
CID 654699
1-[(1R,5R)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methylphenyl)urea
CID 7403457
5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide
CID 106239200
N-[3-(adamantane-1-carbonylamino)-5-fluorocyclohexyl]adamantane-1-carboxamide
CID 171722471
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide
CID 127795927
N-[3-(adamantane-1-carbonylamino)-5-(1-adamantyl)cyclohexyl]adamantane-1-carboxamide
CID 171722197
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
8-heptyl-8-azabicyclo[3.2.1]octane
CID 138507431
4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461488
4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 3217980

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide (CID 7403502) is N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide is CCCCN1[C@H]2CCC[C@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2.
What is the InChIKey of N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide?
The InChIKey is AZZGXBSBHMXPPG-RRUIWAFLSA-N. The full InChI is InChI=1S/C23H38N2O/c1-2-3-7-25-20-5-4-6-21(25)12-19(11-20)24-22(26)23-13-16-8-17(14-23)10-18(9-16)15-23/h16-21H,2-15H2,1H3,(H,24,26)/t16?,17?,18?,20-,21-,23?/m0/s1.
What are the key properties of N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide?
N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide has a molecular weight of 358.57 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 7403502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).