2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine

C13H24N2O — CID 103070890

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CC2CCC(C1)O2
InChIInChI=1S/C13H24N2O/c1-10(2)14-6-11(3)7-15-8-12-4-5-13(9-15)16-12/h10,12-14H,3-9H2,1-2H3
InChIKeyHBTPMFXENGEJFX-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.40
Rot. Bonds5

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103070890) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103070890
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CC2CCC(C1)O2
InChIInChI=1S/C13H24N2O/c1-10(2)14-6-11(3)7-15-8-12-4-5-13(9-15)16-12/h10,12-14H,3-9H2,1-2H3
InChIKeyHBTPMFXENGEJFX-UHFFFAOYSA-N
XLogP1.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103070890) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CN1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is HBTPMFXENGEJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)14-6-11(3)7-15-8-12-4-5-13(9-15)16-12/h10,12-14H,3-9H2,1-2H3.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.40, 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-ylmethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103070890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).