cyclohexyl carbamate;cyclohexylcarbamic acid

C14H26N2O4 — CID 161239099

IUPACcyclohexyl carbamate;cyclohexylcarbamic acid
SMILESNC(=O)OC1CCCCC1.O=C(O)NC1CCCCC1
InChIInChI=1S/2C7H13NO2/c8-7(9)10-6-4-2-1-3-5-6;9-7(10)8-6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9);6,8H,1-5H2,(H,9,10)
InChIKeyUZTLLXRORBFUTA-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.00
Rot. Bonds2

About cyclohexyl carbamate;cyclohexylcarbamic acid

cyclohexyl carbamate;cyclohexylcarbamic acid (PubChem CID 161239099) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is cyclohexyl carbamate;cyclohexylcarbamic acid.

Molecular Properties

Compound Namecyclohexyl carbamate;cyclohexylcarbamic acid
PubChem CID161239099
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namecyclohexyl carbamate;cyclohexylcarbamic acid
SMILESNC(=O)OC1CCCCC1.O=C(O)NC1CCCCC1
InChIInChI=1S/2C7H13NO2/c8-7(9)10-6-4-2-1-3-5-6;9-7(10)8-6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9);6,8H,1-5H2,(H,9,10)
InChIKeyUZTLLXRORBFUTA-UHFFFAOYSA-N
XLogP3.00
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexylcarbamic acid;hydrate
CID 172719994
cyclohexyl N-cyclopentylcarbamate
CID 127539095
cyclododecyl N-cyclobutylcarbamate
CID 135210614
2-O-carbamoyl 1-O-cyclohexyl oxalate
CID 174410162
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
(5-aminocyclooctyl)carbamic acid
CID 89189209
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698
cycloheptyl hydrogen carbonate
CID 23179405
cyclohexylurea;methanamine
CID 142108304
azane;cyclohexyl hydrogen carbonate
CID 67723937
(3-fluorocyclohexyl) carbamate
CID 175956414

Frequently Asked Questions

What is the IUPAC name of cyclohexyl carbamate;cyclohexylcarbamic acid?
The IUPAC name of cyclohexyl carbamate;cyclohexylcarbamic acid (CID 161239099) is cyclohexyl carbamate;cyclohexylcarbamic acid.
What is the SMILES notation for cyclohexyl carbamate;cyclohexylcarbamic acid?
The canonical SMILES for cyclohexyl carbamate;cyclohexylcarbamic acid is NC(=O)OC1CCCCC1.O=C(O)NC1CCCCC1.
What is the InChIKey of cyclohexyl carbamate;cyclohexylcarbamic acid?
The InChIKey is UZTLLXRORBFUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13NO2/c8-7(9)10-6-4-2-1-3-5-6;9-7(10)8-6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9);6,8H,1-5H2,(H,9,10).
What are the key properties of cyclohexyl carbamate;cyclohexylcarbamic acid?
cyclohexyl carbamate;cyclohexylcarbamic acid has a molecular weight of 286.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl carbamate;cyclohexylcarbamic acid is sourced from PubChem (CID 161239099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).