3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine

C8H16N2O — CID 84763751

IUPAC3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine
SMILESNCCCN1CC2CC(C1)O2
InChIInChI=1S/C8H16N2O/c9-2-1-3-10-5-7-4-8(6-10)11-7/h7-8H,1-6,9H2
InChIKeyIXPAUDADDZVPBZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.19
Rot. Bonds3

About 3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine

3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine (PubChem CID 84763751) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine
PubChem CID84763751
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine
SMILESNCCCN1CC2CC(C1)O2
InChIInChI=1S/C8H16N2O/c9-2-1-3-10-5-7-4-8(6-10)11-7/h7-8H,1-6,9H2
InChIKeyIXPAUDADDZVPBZ-UHFFFAOYSA-N
XLogP-0.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride
CID 137331813
4-[[7-(3-aminopropyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]methyl]benzonitrile
CID 68519084
3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine
CID 121201628
3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
CID 103531206
3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propanoic acid
CID 84765924
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 103738015
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 81079462
2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid
CID 64618110
4-[2-[7-(3-aminopropyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethoxy]-3-fluorobenzonitrile;hydrochloride
CID 68523591
3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine
CID 131674238
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
CID 66391546

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine?
The IUPAC name of 3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine (CID 84763751) is 3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine?
The canonical SMILES for 3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine is NCCCN1CC2CC(C1)O2.
What is the InChIKey of 3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine?
The InChIKey is IXPAUDADDZVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-2-1-3-10-5-7-4-8(6-10)11-7/h7-8H,1-6,9H2.
What are the key properties of 3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine?
3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine has a molecular weight of 156.23 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine is sourced from PubChem (CID 84763751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).