bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid

C24H46N4O6 — CID 173459255

IUPACbis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid
SMILESCC/N=C(\NCC)OC1CCCCC1.CC/N=C(\NCC)OC1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/2C11H22N2O.C2H2O4/c2*1-3-12-11(13-4-2)14-10-8-6-5-7-9-10;3-1(4)2(5)6/h2*10H,3-9H2,1-2H3,(H,12,13);(H,3,4)(H,5,6)
InChIKeyMYMAHNGEKXXJFB-UHFFFAOYSA-N
MW486.65 g/mol
LogP3.80
Rot. Bonds6

About bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid

bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid (PubChem CID 173459255) has the molecular formula C24H46N4O6 and a molecular weight of 486.65 g/mol. Its IUPAC name is bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid.

Molecular Properties

Compound Namebis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid
PubChem CID173459255
Molecular FormulaC24H46N4O6
Molecular Weight486.65 g/mol
Exact Mass486.34
IUPAC Namebis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid
SMILESCC/N=C(\NCC)OC1CCCCC1.CC/N=C(\NCC)OC1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/2C11H22N2O.C2H2O4/c2*1-3-12-11(13-4-2)14-10-8-6-5-7-9-10;3-1(4)2(5)6/h2*10H,3-9H2,1-2H3,(H,12,13);(H,3,4)(H,5,6)
InChIKeyMYMAHNGEKXXJFB-UHFFFAOYSA-N
XLogP3.80
TPSA141.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.65
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl N-ethylcarbamate
CID 22978796
cyclopentyl N-ethylcarbamate
CID 54482890
butane;3-cyclohexyloxy-3-oxopropanoic acid
CID 70481739
dicyclononyl carbonate
CID 139618210
cyclohexyl propanoate;dihydrochloride
CID 172803130
cycloheptyl hydrogen carbonate
CID 23179405
cyclohexyl hydrogen carbonate;iodomethane
CID 174434119
cyclopentyl N-methylcarbamate
CID 23548767
cyclooctyl carbonochloridate;ethane
CID 144532416
cyclohexyl acetate;iodoethane
CID 174262238
cycloheptadecyl acetate
CID 57215828
azane;cyclohexyl hydrogen carbonate
CID 67723937

Frequently Asked Questions

What is the IUPAC name of bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid?
The IUPAC name of bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid (CID 173459255) is bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid.
What is the SMILES notation for bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid?
The canonical SMILES for bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid is CC/N=C(\NCC)OC1CCCCC1.CC/N=C(\NCC)OC1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid?
The InChIKey is MYMAHNGEKXXJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22N2O.C2H2O4/c2*1-3-12-11(13-4-2)14-10-8-6-5-7-9-10;3-1(4)2(5)6/h2*10H,3-9H2,1-2H3,(H,12,13);(H,3,4)(H,5,6).
What are the key properties of bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid?
bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid has a molecular weight of 486.65 g/mol, XLogP of 3.80, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexyl N,N'-diethylcarbamimidate);oxalic acid is sourced from PubChem (CID 173459255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).