2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine

C12H22N2O — CID 66371810

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CC2CCC(C1)O2
InChIInChI=1S/C12H22N2O/c1-3-6-13-7-10(2)14-8-11-4-5-12(9-14)15-11/h3,10-13H,1,4-9H2,2H3
InChIKeyFOFFUVABGRFLFP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.01
Rot. Bonds5

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

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine (PubChem CID 66371810) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine
PubChem CID66371810
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CC2CCC(C1)O2
InChIInChI=1S/C12H22N2O/c1-3-6-13-7-10(2)14-8-11-4-5-12(9-14)15-11/h3,10-13H,1,4-9H2,2H3
InChIKeyFOFFUVABGRFLFP-UHFFFAOYSA-N
XLogP1.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62557815
3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine
CID 66370840
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine
CID 66369464
2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62556941
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-2-amine
CID 66370243
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-prop-2-enylpropan-1-amine
CID 79936605
N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009405
2-(2-ethylazepan-1-yl)-N-prop-2-enylpropan-1-amine
CID 104692402
N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114597222
methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
CID 66391355
2-(5-ethyl-2-methylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 62568189
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine
CID 66391124

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine (CID 66371810) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine?
The InChIKey is FOFFUVABGRFLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-6-13-7-10(2)14-8-11-4-5-12(9-14)15-11/h3,10-13H,1,4-9H2,2H3.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 66371810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).