[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine

C16H31N3 — CID 103494661

IUPAC[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCC(C)C1CCN(C2(CN)CN3CCC2CC3)CC1
InChIInChI=1S/C16H31N3/c1-13(2)14-3-9-19(10-4-14)16(11-17)12-18-7-5-15(16)6-8-18/h13-15H,3-12,17H2,1-2H3
InChIKeyQJPVSXVNAUGONB-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.78
Rot. Bonds3

About [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine

[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (PubChem CID 103494661) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
PubChem CID103494661
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCC(C)C1CCN(C2(CN)CN3CCC2CC3)CC1
InChIInChI=1S/C16H31N3/c1-13(2)14-3-9-19(10-4-14)16(11-17)12-18-7-5-15(16)6-8-18/h13-15H,3-12,17H2,1-2H3
InChIKeyQJPVSXVNAUGONB-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The IUPAC name of [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (CID 103494661) is [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.
What is the SMILES notation for [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The canonical SMILES for [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is CC(C)C1CCN(C2(CN)CN3CCC2CC3)CC1.
What is the InChIKey of [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The InChIKey is QJPVSXVNAUGONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-13(2)14-3-9-19(10-4-14)16(11-17)12-18-7-5-15(16)6-8-18/h13-15H,3-12,17H2,1-2H3.
What are the key properties of [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is sourced from PubChem (CID 103494661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).