[3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine

C16H31N3 — CID 61421093

IUPAC[3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
SMILESCCC1CCN(C2(CN)CC3CCC(C2)N3C)CC1
InChIInChI=1S/C16H31N3/c1-3-13-6-8-19(9-7-13)16(12-17)10-14-4-5-15(11-16)18(14)2/h13-15H,3-12,17H2,1-2H3
InChIKeyUAUJQMNLLOYPQO-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.06
Rot. Bonds3

About [3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine

[3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine (PubChem CID 61421093) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is [3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
PubChem CID61421093
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name[3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
SMILESCCC1CCN(C2(CN)CC3CCC(C2)N3C)CC1
InChIInChI=1S/C16H31N3/c1-3-13-6-8-19(9-7-13)16(12-17)10-14-4-5-15(11-16)18(14)2/h13-15H,3-12,17H2,1-2H3
InChIKeyUAUJQMNLLOYPQO-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The IUPAC name of [3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine (CID 61421093) is [3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine.
What is the SMILES notation for [3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The canonical SMILES for [3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine is CCC1CCN(C2(CN)CC3CCC(C2)N3C)CC1.
What is the InChIKey of [3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The InChIKey is UAUJQMNLLOYPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-13-6-8-19(9-7-13)16(12-17)10-14-4-5-15(11-16)18(14)2/h13-15H,3-12,17H2,1-2H3.
What are the key properties of [3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
[3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine is sourced from PubChem (CID 61421093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).