(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane

C17H33NO2 — CID 164918983

IUPAC(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
SMILESCC.CC(C)(C)C1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H27NO2.C2H6/c1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16;1-2/h12-13H,4-11H2,1-3H3;1-2H3
InChIKeyMSWHMECMQGWPMF-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.72
Rot. Bonds1

About (4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane

(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane (PubChem CID 164918983) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
PubChem CID164918983
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
SMILESCC.CC(C)(C)C1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H27NO2.C2H6/c1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16;1-2/h12-13H,4-11H2,1-3H3;1-2H3
InChIKeyMSWHMECMQGWPMF-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
(1-tert-butylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 21061611
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
[4-(morpholine-4-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174964171
[2-(1-aminoethyl)morpholin-4-yl]-(4-tert-butylcyclohexyl)methanone
CID 81485314
(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone
CID 62717919
4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63783007
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone
CID 107159918
(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone
CID 110849366
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane?
The IUPAC name of (4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane (CID 164918983) is (4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane.
What is the SMILES notation for (4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane?
The canonical SMILES for (4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane is CC.CC(C)(C)C1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane?
The InChIKey is MSWHMECMQGWPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2.C2H6/c1-15(2,3)13-6-4-12(5-7-13)14(17)16-8-10-18-11-9-16;1-2/h12-13H,4-11H2,1-3H3;1-2H3.
What are the key properties of (4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane?
(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane has a molecular weight of 283.46 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane is sourced from PubChem (CID 164918983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).