1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine

C13H25N3 — CID 79987335

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(C2CN3CCC2CC3)C1
InChIInChI=1S/C13H25N3/c1-10-6-12(14)8-16(7-10)13-9-15-4-2-11(13)3-5-15/h10-13H,2-9,14H2,1H3
InChIKeyHYVWSLQUNPJROS-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.75
Rot. Bonds1

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine

1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine (PubChem CID 79987335) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine
PubChem CID79987335
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(C2CN3CCC2CC3)C1
InChIInChI=1S/C13H25N3/c1-10-6-12(14)8-16(7-10)13-9-15-4-2-11(13)3-5-15/h10-13H,2-9,14H2,1H3
InChIKeyHYVWSLQUNPJROS-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine (CID 79987335) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine is CC1CC(N)CN(C2CN3CCC2CC3)C1.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine?
The InChIKey is HYVWSLQUNPJROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10-6-12(14)8-16(7-10)13-9-15-4-2-11(13)3-5-15/h10-13H,2-9,14H2,1H3.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine?
1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine has a molecular weight of 223.36 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 79987335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).