(4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone

C16H30N2O2 — CID 102628392

IUPAC(4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCC(N)C(C)C2(C)C)C(C)CO1
InChIInChI=1S/C16H30N2O2/c1-10-9-20-11(2)8-18(10)15(19)13-6-7-14(17)12(3)16(13,4)5/h10-14H,6-9,17H2,1-5H3
InChIKeyJDHDYMSGTCVQQQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.02
Rot. Bonds1

About (4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone

(4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 102628392) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID102628392
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCC(N)C(C)C2(C)C)C(C)CO1
InChIInChI=1S/C16H30N2O2/c1-10-9-20-11(2)8-18(10)15(19)13-6-7-14(17)12(3)16(13,4)5/h10-14H,6-9,17H2,1-5H3
InChIKeyJDHDYMSGTCVQQQ-UHFFFAOYSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 102628765
(4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 102628701
cyclobutyl-(2,5-dimethylmorpholin-4-yl)methanone
CID 110727653
[(1R,3S)-3-aminocyclohexyl]-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone
CID 94594163
(2,5-dimethylmorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795429
(4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone
CID 102628805
(4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780666
(4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 102628858
4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione
CID 102628989
(2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102944408
1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide
CID 102628551
N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide
CID 102629191

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 102628392) is (4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)C2CCC(N)C(C)C2(C)C)C(C)CO1.
What is the InChIKey of (4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is JDHDYMSGTCVQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-10-9-20-11(2)8-18(10)15(19)13-6-7-14(17)12(3)16(13,4)5/h10-14H,6-9,17H2,1-5H3.
What are the key properties of (4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 282.43 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102628392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).