(3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine

C10H18N2 — CID 28879589

IUPAC(3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC=CCN[C@H]1CN2CCC1CC2
InChIInChI=1S/C10H18N2/c1-2-5-11-10-8-12-6-3-9(10)4-7-12/h2,9-11H,1,3-8H2/t10-/m0/s1
InChIKeyOPYZZRUVBVSTAR-JTQLQIEISA-N
MW166.27 g/mol
LogP0.86
Rot. Bonds3

About (3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine

(3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 28879589) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID28879589
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC=CCN[C@H]1CN2CCC1CC2
InChIInChI=1S/C10H18N2/c1-2-5-11-10-8-12-6-3-9(10)4-7-12/h2,9-11H,1,3-8H2/t10-/m0/s1
InChIKeyOPYZZRUVBVSTAR-JTQLQIEISA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine (CID 28879589) is (3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine is C=CCN[C@H]1CN2CCC1CC2.
What is the InChIKey of (3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is OPYZZRUVBVSTAR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N2/c1-2-5-11-10-8-12-6-3-9(10)4-7-12/h2,9-11H,1,3-8H2/t10-/m0/s1.
What are the key properties of (3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine?
(3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 166.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-prop-2-enyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 28879589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).