(6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one

C14H26N2O — CID 15068666

IUPAC(6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one
SMILESCCCCN1CC2CC[C@H](N(C)C)C(C1)C2=O
InChIInChI=1S/C14H26N2O/c1-4-5-8-16-9-11-6-7-13(15(2)3)12(10-16)14(11)17/h11-13H,4-10H2,1-3H3/t11?,12?,13-/m0/s1
InChIKeyFUOYATHKORBDMW-BPCQOVAHSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds4

About (6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one

(6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one (PubChem CID 15068666) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name(6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one
PubChem CID15068666
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one
SMILESCCCCN1CC2CC[C@H](N(C)C)C(C1)C2=O
InChIInChI=1S/C14H26N2O/c1-4-5-8-16-9-11-6-7-13(15(2)3)12(10-16)14(11)17/h11-13H,4-10H2,1-3H3/t11?,12?,13-/m0/s1
InChIKeyFUOYATHKORBDMW-BPCQOVAHSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one
CID 21293379
(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one
CID 98070007
4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
CID 162493113
3-benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 165353165
(1R,5R)-3-propyl-3-azabicyclo[3.1.1]heptan-6-one
CID 98070002
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 123306364
[(6R,9R)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-yl] 2,2-diphenylacetate;hydrate;dihydrobromide
CID 70407824
4-butyl-1,2,6-trimethylpiperazine
CID 126991132
1-butyl-3-methyl-1,3-diazetidine
CID 54539532
(6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 68559403
1-(1-butylazetidin-3-yl)pyrrolidin-2-one
CID 176923979
(3aS,6aS)-5-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850440

Frequently Asked Questions

What is the IUPAC name of (6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of (6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one (CID 15068666) is (6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for (6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for (6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one is CCCCN1CC2CC[C@H](N(C)C)C(C1)C2=O.
What is the InChIKey of (6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is FUOYATHKORBDMW-BPCQOVAHSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-5-8-16-9-11-6-7-13(15(2)3)12(10-16)14(11)17/h11-13H,4-10H2,1-3H3/t11?,12?,13-/m0/s1.
What are the key properties of (6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one?
(6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 238.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 15068666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).