(2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol

C19H37NO — CID 102032386

IUPAC(2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol
SMILESCCCCC[C@@H]1CCC[C@]2(CCC[C@@H](O)[C@H]2CCCC)N1
InChIInChI=1S/C19H37NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h16-18,20-21H,3-15H2,1-2H3/t16-,17-,18-,19-/m1/s1
InChIKeyBTKHRQIWTGOESJ-NCXUSEDFSA-N
MW295.51 g/mol
LogP4.80
Rot. Bonds7

About (2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol

(2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol (PubChem CID 102032386) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is (2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol.

Molecular Properties

Compound Name(2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol
PubChem CID102032386
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name(2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol
SMILESCCCCC[C@@H]1CCC[C@]2(CCC[C@@H](O)[C@H]2CCCC)N1
InChIInChI=1S/C19H37NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h16-18,20-21H,3-15H2,1-2H3/t16-,17-,18-,19-/m1/s1
InChIKeyBTKHRQIWTGOESJ-NCXUSEDFSA-N
XLogP4.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
[(2S,5S)-5-butylpyrrolidin-2-yl]methanol
CID 131230214
6-butylbicyclo[3.1.0]hexan-1-ol
CID 135015133
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
(2S)-2-hexylpyrrolidine
CID 7047826
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
(1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol
CID 100968661
(2S,5S)-2-ethyl-5-pentylpyrrolidine
CID 71392396

Frequently Asked Questions

What is the IUPAC name of (2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol?
The IUPAC name of (2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol (CID 102032386) is (2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol.
What is the SMILES notation for (2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol?
The canonical SMILES for (2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol is CCCCC[C@@H]1CCC[C@]2(CCC[C@@H](O)[C@H]2CCCC)N1.
What is the InChIKey of (2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol?
The InChIKey is BTKHRQIWTGOESJ-NCXUSEDFSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h16-18,20-21H,3-15H2,1-2H3/t16-,17-,18-,19-/m1/s1.
What are the key properties of (2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol?
(2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol has a molecular weight of 295.51 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,10R,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol is sourced from PubChem (CID 102032386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).