3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine

C10H20N2O — CID 15235177

IUPAC3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine
SMILESNCCCN1C2CCCC1COC2
InChIInChI=1S/C10H20N2O/c11-5-2-6-12-9-3-1-4-10(12)8-13-7-9/h9-10H,1-8,11H2
InChIKeyFBRMDQPCAWWQCT-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.59
Rot. Bonds3

About 3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine

3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine (PubChem CID 15235177) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine
PubChem CID15235177
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine
SMILESNCCCN1C2CCCC1COC2
InChIInChI=1S/C10H20N2O/c11-5-2-6-12-9-3-1-4-10(12)8-13-7-9/h9-10H,1-8,11H2
InChIKeyFBRMDQPCAWWQCT-UHFFFAOYSA-N
XLogP0.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine?
The IUPAC name of 3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine (CID 15235177) is 3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine.
What is the SMILES notation for 3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine?
The canonical SMILES for 3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine is NCCCN1C2CCCC1COC2.
What is the InChIKey of 3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine?
The InChIKey is FBRMDQPCAWWQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c11-5-2-6-12-9-3-1-4-10(12)8-13-7-9/h9-10H,1-8,11H2.
What are the key properties of 3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine?
3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine has a molecular weight of 184.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine is sourced from PubChem (CID 15235177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).