3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine

C9H18N2O — CID 15235180

IUPAC3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine
SMILESNCCCN1C2CCC1COC2
InChIInChI=1S/C9H18N2O/c10-4-1-5-11-8-2-3-9(11)7-12-6-8/h8-9H,1-7,10H2
InChIKeyZDWPZDFNTJFPBW-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.20
Rot. Bonds3

About 3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine

3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine (PubChem CID 15235180) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine
PubChem CID15235180
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine
SMILESNCCCN1C2CCC1COC2
InChIInChI=1S/C9H18N2O/c10-4-1-5-11-8-2-3-9(11)7-12-6-8/h8-9H,1-7,10H2
InChIKeyZDWPZDFNTJFPBW-UHFFFAOYSA-N
XLogP0.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine?
The IUPAC name of 3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine (CID 15235180) is 3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine.
What is the SMILES notation for 3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine?
The canonical SMILES for 3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine is NCCCN1C2CCC1COC2.
What is the InChIKey of 3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine?
The InChIKey is ZDWPZDFNTJFPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-4-1-5-11-8-2-3-9(11)7-12-6-8/h8-9H,1-7,10H2.
What are the key properties of 3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine?
3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine has a molecular weight of 170.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine is sourced from PubChem (CID 15235180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).