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

C9H18N2O — CID 66391871

IUPAC3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
SMILESNCCCN1CC2CCC(C1)O2
InChIInChI=1S/C9H18N2O/c10-4-1-5-11-6-8-2-3-9(7-11)12-8/h8-9H,1-7,10H2
InChIKeyKSEGZTYUKQXZMC-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.20
Rot. Bonds3

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

3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine (PubChem CID 66391871) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
PubChem CID66391871
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
SMILESNCCCN1CC2CCC(C1)O2
InChIInChI=1S/C9H18N2O/c10-4-1-5-11-6-8-2-3-9(7-11)12-8/h8-9H,1-7,10H2
InChIKeyKSEGZTYUKQXZMC-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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
The IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine (CID 66391871) is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
The canonical SMILES for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine is NCCCN1CC2CCC(C1)O2.
What is the InChIKey of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
The InChIKey is KSEGZTYUKQXZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-4-1-5-11-6-8-2-3-9(7-11)12-8/h8-9H,1-7,10H2.
What are the key properties of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine is sourced from PubChem (CID 66391871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).