(1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol

C39H75N3O3 — CID 139039444

IUPAC(1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol
SMILESCC(C)(C)N1C[C@H]2CCCC[C@@H](C1)C2O.CC(C)(C)N1C[C@H]2CCCC[C@@H](C1)C2O.CC(C)(C)N1C[C@H]2CCCC[C@@H](C1)C2O
InChIInChI=1S/3C13H25NO/c3*1-13(2,3)14-8-10-6-4-5-7-11(9-14)12(10)15/h3*10-12,15H,4-9H2,1-3H3/t3*10-,11+,12?
InChIKeyFIASZUWNXDOAAR-YWCCBNIDSA-N
MW634.05 g/mol
LogP6.80
Rot. Bonds

About (1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol

(1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol (PubChem CID 139039444) has the molecular formula C39H75N3O3 and a molecular weight of 634.05 g/mol. Its IUPAC name is (1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol.

Molecular Properties

Compound Name(1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol
PubChem CID139039444
Molecular FormulaC39H75N3O3
Molecular Weight634.05 g/mol
Exact Mass633.58
IUPAC Name(1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol
SMILESCC(C)(C)N1C[C@H]2CCCC[C@@H](C1)C2O.CC(C)(C)N1C[C@H]2CCCC[C@@H](C1)C2O.CC(C)(C)N1C[C@H]2CCCC[C@@H](C1)C2O
InChIInChI=1S/3C13H25NO/c3*1-13(2,3)14-8-10-6-4-5-7-11(9-14)12(10)15/h3*10-12,15H,4-9H2,1-3H3/t3*10-,11+,12?
InChIKeyFIASZUWNXDOAAR-YWCCBNIDSA-N
XLogP6.80
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.05
LogP ≤ 56.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol
CID 43810977
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
CID 140929393
3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 43810988
(4aR,9aS)-2-tert-butyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 177091960
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
CID 90396044
(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
CID 172518129
2-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;methanamine
CID 161009351
[(1R,7S)-9-tert-butyl-9-azabicyclo[5.3.1]undecan-11-yl] acetate
CID 46242326
2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-c]azepine
CID 126571223
2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methylpropan-1-ol
CID 130689706
5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 22943643

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol?
The IUPAC name of (1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol (CID 139039444) is (1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol.
What is the SMILES notation for (1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol?
The canonical SMILES for (1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol is CC(C)(C)N1C[C@H]2CCCC[C@@H](C1)C2O.CC(C)(C)N1C[C@H]2CCCC[C@@H](C1)C2O.CC(C)(C)N1C[C@H]2CCCC[C@@H](C1)C2O.
What is the InChIKey of (1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol?
The InChIKey is FIASZUWNXDOAAR-YWCCBNIDSA-N. The full InChI is InChI=1S/3C13H25NO/c3*1-13(2,3)14-8-10-6-4-5-7-11(9-14)12(10)15/h3*10-12,15H,4-9H2,1-3H3/t3*10-,11+,12?.
What are the key properties of (1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol?
(1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol has a molecular weight of 634.05 g/mol, XLogP of 6.80, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol is sourced from PubChem (CID 139039444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).