9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine

C14H26N2O — CID 62714529

IUPAC9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C1CCCO1)N1C2CCCC1CC(N)C2
InChIInChI=1S/C14H26N2O/c1-10(14-6-3-7-17-14)16-12-4-2-5-13(16)9-11(15)8-12/h10-14H,2-9,15H2,1H3
InChIKeyXCBNQRXJFKYGBG-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.90
Rot. Bonds2

About 9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62714529) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62714529
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C1CCCO1)N1C2CCCC1CC(N)C2
InChIInChI=1S/C14H26N2O/c1-10(14-6-3-7-17-14)16-12-4-2-5-13(16)9-11(15)8-12/h10-14H,2-9,15H2,1H3
InChIKeyXCBNQRXJFKYGBG-UHFFFAOYSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 62714529) is 9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine is CC(C1CCCO1)N1C2CCCC1CC(N)C2.
What is the InChIKey of 9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is XCBNQRXJFKYGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(14-6-3-7-17-14)16-12-4-2-5-13(16)9-11(15)8-12/h10-14H,2-9,15H2,1H3.
What are the key properties of 9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 238.37 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62714529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).