3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol

C12H23NO — CID 163535034

IUPAC3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol
SMILESNCCCC1CC2CCCC(O)(C1)C2
InChIInChI=1S/C12H23NO/c13-6-2-4-11-7-10-3-1-5-12(14,8-10)9-11/h10-11,14H,1-9,13H2
InChIKeyDWFCPYOPCYMYNB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.06
Rot. Bonds3

About 3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol

3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol (PubChem CID 163535034) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol.

Molecular Properties

Compound Name3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol
PubChem CID163535034
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol
SMILESNCCCC1CC2CCCC(O)(C1)C2
InChIInChI=1S/C12H23NO/c13-6-2-4-11-7-10-3-1-5-12(14,8-10)9-11/h10-11,14H,1-9,13H2
InChIKeyDWFCPYOPCYMYNB-UHFFFAOYSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol
CID 99984864
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
(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
bicyclo[5.3.1]undecan-1-ol
CID 14867023
3-cyclohexylpropan-1-amine;ethane
CID 143945055
bicyclo[2.1.1]hexan-1-ol
CID 14867020
3-[3-(3-aminopropyl)-3-(1,2,2,3-tetramethylcyclohexyl)cyclohexyl]propan-1-amine
CID 174728023
2-(3-bicyclo[3.2.1]octanyl)ethanamine
CID 130370371
4-(3-aminopropyl)cyclohexan-1-amine
CID 22292235
3-(2,2-difluorocyclopentyl)propan-1-amine
CID 105432125
3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol
CID 148598782

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol?
The IUPAC name of 3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol (CID 163535034) is 3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol.
What is the SMILES notation for 3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol?
The canonical SMILES for 3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol is NCCCC1CC2CCCC(O)(C1)C2.
What is the InChIKey of 3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol?
The InChIKey is DWFCPYOPCYMYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-6-2-4-11-7-10-3-1-5-12(14,8-10)9-11/h10-11,14H,1-9,13H2.
What are the key properties of 3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol?
3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)bicyclo[3.3.1]nonan-1-ol is sourced from PubChem (CID 163535034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).