N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide

C12H22N2O — CID 46842798

IUPACN-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCCCNC(=O)C1CC2CNCC(C2)C1
InChIInChI=1S/C12H22N2O/c1-2-3-14-12(15)11-5-9-4-10(6-11)8-13-7-9/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyFEIJFKLKIQDCEV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.15
Rot. Bonds3

About N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide

N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 46842798) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID46842798
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCCCNC(=O)C1CC2CNCC(C2)C1
InChIInChI=1S/C12H22N2O/c1-2-3-14-12(15)11-5-9-4-10(6-11)8-13-7-9/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyFEIJFKLKIQDCEV-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-N-methyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 71682974
1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
CID 25098131
N-propyladamantane-2-carboxamide
CID 78913673
N-propylcyclooctanecarboxamide
CID 65022755
2-methyl-N-propyl-1,3-dioxane-5-carboxamide
CID 141007817
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
CID 154814550
3-N-propylcyclopentane-1,3-dicarboxamide
CID 68522945
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
3,3-difluoro-N-propylcyclobutane-1-carboxamide
CID 130711162
1-(3-azabicyclo[3.3.1]nonan-7-yl)-2-methylpropan-1-one
CID 25098133
(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide
CID 129321630

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 46842798) is N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide is CCCNC(=O)C1CC2CNCC(C2)C1.
What is the InChIKey of N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is FEIJFKLKIQDCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-14-12(15)11-5-9-4-10(6-11)8-13-7-9/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 46842798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).