dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate

C45H86F2K2N4O6S — CID 176927726

IUPACdipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate
SMILESCC.CC(C)OCC1(CN2CCOCC2)CC1(F)F.CC1COCCN1CC1(C[O-])CC1.CCN(C)CC1(COCC(C)C)CC1.[K+].[K+].[O-]CC1(CN2CCSCC2)CC1
InChIInChI=1S/C12H21F2NO2.C12H25NO.C10H18NO2.C9H16NOS.C2H6.2K/c1-10(2)17-9-11(7-12(11,13)14)8-15-3-5-16-6-4-15;1-5-13(4)9-12(6-7-12)10-14-8-11(2)3;1-9-6-13-5-4-11(9)7-10(8-12)2-3-10;11-8-9(1-2-9)7-10-3-5-12-6-4-10;1-2;;/h10H,3-9H2,1-2H3;11H,5-10H2,1-4H3;9H,2-8H2,1H3;1-8H2;1-2H3;;/q;;2*-1;;2*+1
InChIKeyUZYKLTPOFBKVET-UHFFFAOYSA-N
MW927.46 g/mol
LogP-0.78
Rot. Bonds18

About dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate

dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate (PubChem CID 176927726) has the molecular formula C45H86F2K2N4O6S and a molecular weight of 927.46 g/mol. Its IUPAC name is dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate.

Molecular Properties

Compound Namedipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate
PubChem CID176927726
Molecular FormulaC45H86F2K2N4O6S
Molecular Weight927.46 g/mol
Exact Mass926.55
IUPAC Namedipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate
SMILESCC.CC(C)OCC1(CN2CCOCC2)CC1(F)F.CC1COCCN1CC1(C[O-])CC1.CCN(C)CC1(COCC(C)C)CC1.[K+].[K+].[O-]CC1(CN2CCSCC2)CC1
InChIInChI=1S/C12H21F2NO2.C12H25NO.C10H18NO2.C9H16NOS.C2H6.2K/c1-10(2)17-9-11(7-12(11,13)14)8-15-3-5-16-6-4-15;1-5-13(4)9-12(6-7-12)10-14-8-11(2)3;1-9-6-13-5-4-11(9)7-10(8-12)2-3-10;11-8-9(1-2-9)7-10-3-5-12-6-4-10;1-2;;/h10H,3-9H2,1-2H3;11H,5-10H2,1-4H3;9H,2-8H2,1H3;1-8H2;1-2H3;;/q;;2*-1;;2*+1
InChIKeyUZYKLTPOFBKVET-UHFFFAOYSA-N
XLogP-0.78
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.46
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate with MolForge

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Related Compounds

(3S)-3-methyl-4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine
CID 170926284
ethane;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanol
CID 176664343
1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 177009704
4-[[1-(ethoxymethyl)cyclopropyl]methyl]thiomorpholine
CID 170601732
4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,4-thiazinane 1-oxide;4-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]thiomorpholine
CID 176568146
4-[[1-(1-iodoethoxymethyl)cyclopropyl]methyl]thiomorpholine
CID 176926791
4-[[4-(bromomethyl)oxan-4-yl]methyl]thiomorpholine
CID 65004698
1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 177330683
[3-[(3-methylmorpholin-4-yl)methyl]oxolan-3-yl]methanol
CID 62271661
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243400
N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine
CID 171727679
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate?
The IUPAC name of dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate (CID 176927726) is dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate.
What is the SMILES notation for dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate?
The canonical SMILES for dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate is CC.CC(C)OCC1(CN2CCOCC2)CC1(F)F.CC1COCCN1CC1(C[O-])CC1.CCN(C)CC1(COCC(C)C)CC1.[K+].[K+].[O-]CC1(CN2CCSCC2)CC1.
What is the InChIKey of dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate?
The InChIKey is UZYKLTPOFBKVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2.C12H25NO.C10H18NO2.C9H16NOS.C2H6.2K/c1-10(2)17-9-11(7-12(11,13)14)8-15-3-5-16-6-4-15;1-5-13(4)9-12(6-7-12)10-14-8-11(2)3;1-9-6-13-5-4-11(9)7-10(8-12)2-3-10;11-8-9(1-2-9)7-10-3-5-12-6-4-10;1-2;;/h10H,3-9H2,1-2H3;11H,5-10H2,1-4H3;9H,2-8H2,1H3;1-8H2;1-2H3;;/q;;2*-1;;2*+1.
What are the key properties of dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate?
dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate has a molecular weight of 927.46 g/mol, XLogP of -0.78, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine;ethane;N-methyl-N-[[1-(2-methylpropoxymethyl)cyclopropyl]methyl]ethanamine;[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methanolate;[1-(thiomorpholin-4-ylmethyl)cyclopropyl]methanolate is sourced from PubChem (CID 176927726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).