8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

C16H31N3 — CID 54899357

IUPAC8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(CNC1CC2CCC(C1)N2C)N1CCCCC1
InChIInChI=1S/C16H31N3/c1-13(19-8-4-3-5-9-19)12-17-14-10-15-6-7-16(11-14)18(15)2/h13-17H,3-12H2,1-2H3
InChIKeyGHKTUBDFXMYKEQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.08
Rot. Bonds4

About 8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 54899357) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID54899357
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(CNC1CC2CCC(C1)N2C)N1CCCCC1
InChIInChI=1S/C16H31N3/c1-13(19-8-4-3-5-9-19)12-17-14-10-15-6-7-16(11-14)18(15)2/h13-17H,3-12H2,1-2H3
InChIKeyGHKTUBDFXMYKEQ-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 54899357) is 8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is CC(CNC1CC2CCC(C1)N2C)N1CCCCC1.
What is the InChIKey of 8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GHKTUBDFXMYKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-13(19-8-4-3-5-9-19)12-17-14-10-15-6-7-16(11-14)18(15)2/h13-17H,3-12H2,1-2H3.
What are the key properties of 8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 265.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 54899357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).