1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine

C9H18N2O — CID 66391123

IUPAC1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine
SMILESCC(N)CN1CC2CCC(C1)O2
InChIInChI=1S/C9H18N2O/c1-7(10)4-11-5-8-2-3-9(6-11)12-8/h7-9H,2-6,10H2,1H3
InChIKeyZXOTXQMQSUHVFV-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.20
Rot. Bonds2

About 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine

1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine (PubChem CID 66391123) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine
PubChem CID66391123
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine
SMILESCC(N)CN1CC2CCC(C1)O2
InChIInChI=1S/C9H18N2O/c1-7(10)4-11-5-8-2-3-9(6-11)12-8/h7-9H,2-6,10H2,1H3
InChIKeyZXOTXQMQSUHVFV-UHFFFAOYSA-N
XLogP0.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine?
The IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine (CID 66391123) is 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine?
The canonical SMILES for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine is CC(N)CN1CC2CCC(C1)O2.
What is the InChIKey of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine?
The InChIKey is ZXOTXQMQSUHVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(10)4-11-5-8-2-3-9(6-11)12-8/h7-9H,2-6,10H2,1H3.
What are the key properties of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine?
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine has a molecular weight of 170.26 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine is sourced from PubChem (CID 66391123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).