(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol

C9H15NO — CID 175729322

IUPAC(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol
SMILESOC12CC3C[C@H](C1)N[C@@H](C3)C2
InChIInChI=1S/C9H15NO/c11-9-3-6-1-7(4-9)10-8(2-6)5-9/h6-8,10-11H,1-5H2/t6?,7-,8+,9?
InChIKeyXTXXBXYRWAIAFQ-VGKQMMLZSA-N
MW153.22 g/mol
LogP0.65
Rot. Bonds

About (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol

(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol (PubChem CID 175729322) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol.

Molecular Properties

Compound Name(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol
PubChem CID175729322
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol
SMILESOC12CC3C[C@H](C1)N[C@@H](C3)C2
InChIInChI=1S/C9H15NO/c11-9-3-6-1-7(4-9)10-8(2-6)5-9/h6-8,10-11H,1-5H2/t6?,7-,8+,9?
InChIKeyXTXXBXYRWAIAFQ-VGKQMMLZSA-N
XLogP0.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid
CID 175729321
adamantan-1-ol;azane
CID 66728775
5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane
CID 170386418
3-methylbicyclo[3.1.1]heptan-1-ol
CID 67034776
acetaldehyde;adamantan-1-ol
CID 175101814
spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol
CID 2835846
3-(3-hydroxy-1-adamantyl)adamantan-1-ol
CID 14984938
4-aminoadamantan-1-ol;hydrate;hydrochloride
CID 174624676
4-(2-methylpropyl)adamantane-1,4-diol
CID 139814602
(5R,7R)-3-chloroadamantan-1-ol
CID 6932408
1-nitroso-2-azatricyclo[3.3.1.13,7]decane
CID 118643342
5-(1-adamantyl)adamantane-1,3-diol
CID 68810995

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol?
The IUPAC name of (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol (CID 175729322) is (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol.
What is the SMILES notation for (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol?
The canonical SMILES for (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol is OC12CC3C[C@H](C1)N[C@@H](C3)C2.
What is the InChIKey of (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol?
The InChIKey is XTXXBXYRWAIAFQ-VGKQMMLZSA-N. The full InChI is InChI=1S/C9H15NO/c11-9-3-6-1-7(4-9)10-8(2-6)5-9/h6-8,10-11H,1-5H2/t6?,7-,8+,9?.
What are the key properties of (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol?
(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol has a molecular weight of 153.22 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol is sourced from PubChem (CID 175729322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).