(2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone

C16H30N2O2 — CID 59441144

IUPAC(2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone
SMILESCC(C)(C)N[C@H](C(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)17-14(13-7-5-4-6-8-13)15(19)18-9-11-20-12-10-18/h13-14,17H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyMXYYDBPOINLMKX-AWEZNQCLSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds3

About (2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone

(2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone (PubChem CID 59441144) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone
PubChem CID59441144
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone
SMILESCC(C)(C)N[C@H](C(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)17-14(13-7-5-4-6-8-13)15(19)18-9-11-20-12-10-18/h13-14,17H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyMXYYDBPOINLMKX-AWEZNQCLSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone?
The IUPAC name of (2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone (CID 59441144) is (2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone.
What is the SMILES notation for (2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone?
The canonical SMILES for (2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone is CC(C)(C)N[C@H](C(=O)N1CCOCC1)C1CCCCC1.
What is the InChIKey of (2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone?
The InChIKey is MXYYDBPOINLMKX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)17-14(13-7-5-4-6-8-13)15(19)18-9-11-20-12-10-18/h13-14,17H,4-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone?
(2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone has a molecular weight of 282.43 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-2-cyclohexyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 59441144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).