(1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide

C12H22N2O — CID 71682976

IUPAC(1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCC(C)NC(=O)C1C[C@H]2CNC[C@@H](C1)C2
InChIInChI=1S/C12H22N2O/c1-8(2)14-12(15)11-4-9-3-10(5-11)7-13-6-9/h8-11,13H,3-7H2,1-2H3,(H,14,15)/t9-,10+,11?
InChIKeySESASZSELWFBAR-ZACCUICWSA-N
MW210.32 g/mol
LogP1.15
Rot. Bonds2

About (1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide

(1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 71682976) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID71682976
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCC(C)NC(=O)C1C[C@H]2CNC[C@@H](C1)C2
InChIInChI=1S/C12H22N2O/c1-8(2)14-12(15)11-4-9-3-10(5-11)7-13-6-9/h8-11,13H,3-7H2,1-2H3,(H,14,15)/t9-,10+,11?
InChIKeySESASZSELWFBAR-ZACCUICWSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of (1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 71682976) is (1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for (1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for (1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide is CC(C)NC(=O)C1C[C@H]2CNC[C@@H](C1)C2.
What is the InChIKey of (1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is SESASZSELWFBAR-ZACCUICWSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8(2)14-12(15)11-4-9-3-10(5-11)7-13-6-9/h8-11,13H,3-7H2,1-2H3,(H,14,15)/t9-,10+,11?.
What are the key properties of (1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide?
(1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-propan-2-yl-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 71682976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).