9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide

C13H24N2O — CID 120983266

IUPAC9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(C)NC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C13H24N2O/c1-8(2)15-13(16)11-6-9-4-3-5-10(7-11)12(9)14/h8-12H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyDAXFENSDFPRKKM-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.66
Rot. Bonds2

About 9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120983266) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120983266
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(C)NC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C13H24N2O/c1-8(2)15-13(16)11-6-9-4-3-5-10(7-11)12(9)14/h8-12H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyDAXFENSDFPRKKM-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120985037
9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989417
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
9-amino-N-[1-(oxolan-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985199
9-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989321
9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991629
9-amino-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983734
9-amino-N-(1-anilino-1-oxopropan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989646
9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985595
9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993566
9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120990552
9-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991798

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide (CID 120983266) is 9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide is CC(C)NC(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is DAXFENSDFPRKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-8(2)15-13(16)11-6-9-4-3-5-10(7-11)12(9)14/h8-12H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of 9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120983266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).