2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone

C16H30N2O — CID 114597345

IUPAC2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)C(C)N(C(=O)CC2CCCC(N)C2)C1
InChIInChI=1S/C16H30N2O/c1-11-7-12(2)13(3)18(10-11)16(19)9-14-5-4-6-15(17)8-14/h11-15H,4-10,17H2,1-3H3
InChIKeyJALTXJXVALZKOP-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.79
Rot. Bonds2

About 2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone

2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone (PubChem CID 114597345) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
PubChem CID114597345
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)C(C)N(C(=O)CC2CCCC(N)C2)C1
InChIInChI=1S/C16H30N2O/c1-11-7-12(2)13(3)18(10-11)16(19)9-14-5-4-6-15(17)8-14/h11-15H,4-10,17H2,1-3H3
InChIKeyJALTXJXVALZKOP-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone (CID 114597345) is 2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone is CC1CC(C)C(C)N(C(=O)CC2CCCC(N)C2)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The InChIKey is JALTXJXVALZKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-11-7-12(2)13(3)18(10-11)16(19)9-14-5-4-6-15(17)8-14/h11-15H,4-10,17H2,1-3H3.
What are the key properties of 2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone?
2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114597345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).