(1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol

C9H17NO — CID 99984864

IUPAC(1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol
SMILESN[C@H]1C[C@H]2CCC[C@@](O)(C1)C2
InChIInChI=1S/C9H17NO/c10-8-4-7-2-1-3-9(11,5-7)6-8/h7-8,11H,1-6,10H2/t7-,8+,9+/m1/s1
InChIKeyXLDHKXYUHLQDDJ-VGMNWLOBSA-N
MW155.24 g/mol
LogP1.03
Rot. Bonds

About (1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol

(1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol (PubChem CID 99984864) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol.

Molecular Properties

Compound Name(1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol
PubChem CID99984864
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol
SMILESN[C@H]1C[C@H]2CCC[C@@](O)(C1)C2
InChIInChI=1S/C9H17NO/c10-8-4-7-2-1-3-9(11,5-7)6-8/h7-8,11H,1-6,10H2/t7-,8+,9+/m1/s1
InChIKeyXLDHKXYUHLQDDJ-VGMNWLOBSA-N
XLogP1.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol
CID 163535034
bicyclo[5.3.1]undecan-1-ol
CID 14867023
(1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine
CID 138987517
bicyclo[2.1.1]hexan-1-ol
CID 14867020
1,1-difluoro-2-[3-(1-hydroxy-3-bicyclo[3.3.1]nonanyl)propanoyloxy]ethanesulfonic acid
CID 134319167
2-fluoro-4-[3-(1-hydroxy-3-bicyclo[3.3.1]nonanyl)propanoyloxy]butane-1-sulfonic acid
CID 166885295
bicyclo[2.2.1]heptan-1-ol
CID 524266
3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol
CID 148598782
tricyclo[6.6.4.01,3]octadecan-5-amine
CID 155119532
(1S,3S,5S)-2-[(2S)-2-amino-4-(1-hydroxy-3-bicyclo[3.3.1]nonanyl)butanoyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 138749480
4-aminoadamantan-1-ol;hydrate;hydrochloride
CID 174624676
3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol
CID 107140270

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol?
The IUPAC name of (1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol (CID 99984864) is (1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol.
What is the SMILES notation for (1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol?
The canonical SMILES for (1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol is N[C@H]1C[C@H]2CCC[C@@](O)(C1)C2.
What is the InChIKey of (1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol?
The InChIKey is XLDHKXYUHLQDDJ-VGMNWLOBSA-N. The full InChI is InChI=1S/C9H17NO/c10-8-4-7-2-1-3-9(11,5-7)6-8/h7-8,11H,1-6,10H2/t7-,8+,9+/m1/s1.
What are the key properties of (1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol?
(1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol is sourced from PubChem (CID 99984864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).