(5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

C17H34N2O — CID 71831299

IUPAC(5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESCCCC12CNC[C@@](CCC)(CN(CC(C)C)C1)C2O
InChIInChI=1S/C17H34N2O/c1-5-7-16-10-18-11-17(8-6-2,15(16)20)13-19(12-16)9-14(3)4/h14-15,18,20H,5-13H2,1-4H3/t15?,16-,17?/m0/s1
InChIKeyGMWSLXRQAAJTGS-CGZBRXJRSA-N
MW282.47 g/mol
LogP2.50
Rot. Bonds6

About (5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

(5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol (PubChem CID 71831299) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is (5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
PubChem CID71831299
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name(5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
SMILESCCCC12CNC[C@@](CCC)(CN(CC(C)C)C1)C2O
InChIInChI=1S/C17H34N2O/c1-5-7-16-10-18-11-17(8-6-2,15(16)20)13-19(12-16)9-14(3)4/h14-15,18,20H,5-13H2,1-4H3/t15?,16-,17?/m0/s1
InChIKeyGMWSLXRQAAJTGS-CGZBRXJRSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol (CID 71831299) is (5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol is CCCC12CNC[C@@](CCC)(CN(CC(C)C)C1)C2O.
What is the InChIKey of (5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
The InChIKey is GMWSLXRQAAJTGS-CGZBRXJRSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-7-16-10-18-11-17(8-6-2,15(16)20)13-19(12-16)9-14(3)4/h14-15,18,20H,5-13H2,1-4H3/t15?,16-,17?/m0/s1.
What are the key properties of (5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol?
(5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol has a molecular weight of 282.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-methylpropyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 71831299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).