azane;cyclohexyl hydrogen carbonate

C7H15NO3 — CID 67723937

IUPACazane;cyclohexyl hydrogen carbonate
SMILESN.O=C(O)OC1CCCCC1
InChIInChI=1S/C7H12O3.H3N/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2,(H,8,9);1H3
InChIKeyYBOMRAUZGJUSSC-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.18
Rot. Bonds1

About azane;cyclohexyl hydrogen carbonate

azane;cyclohexyl hydrogen carbonate (PubChem CID 67723937) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is azane;cyclohexyl hydrogen carbonate.

Molecular Properties

Compound Nameazane;cyclohexyl hydrogen carbonate
PubChem CID67723937
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameazane;cyclohexyl hydrogen carbonate
SMILESN.O=C(O)OC1CCCCC1
InChIInChI=1S/C7H12O3.H3N/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2,(H,8,9);1H3
InChIKeyYBOMRAUZGJUSSC-UHFFFAOYSA-N
XLogP2.18
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl hydrogen carbonate
CID 23179405
cyclohexyl hydrogen carbonate;iodomethane
CID 174434119
cyclopentyl hydrogen carbonate;oxolane
CID 175213240
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
dicyclononyl carbonate
CID 139618210
azane;cyclohexyl acetate
CID 174554221
cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione
CID 68845454
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148
cycloheptadecyl acetate
CID 57215828
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
[(1S,2R)-2-carboxyoxycyclohexyl] hydrogen carbonate
CID 57178626
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782

Frequently Asked Questions

What is the IUPAC name of azane;cyclohexyl hydrogen carbonate?
The IUPAC name of azane;cyclohexyl hydrogen carbonate (CID 67723937) is azane;cyclohexyl hydrogen carbonate.
What is the SMILES notation for azane;cyclohexyl hydrogen carbonate?
The canonical SMILES for azane;cyclohexyl hydrogen carbonate is N.O=C(O)OC1CCCCC1.
What is the InChIKey of azane;cyclohexyl hydrogen carbonate?
The InChIKey is YBOMRAUZGJUSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.H3N/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2,(H,8,9);1H3.
What are the key properties of azane;cyclohexyl hydrogen carbonate?
azane;cyclohexyl hydrogen carbonate has a molecular weight of 161.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclohexyl hydrogen carbonate is sourced from PubChem (CID 67723937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).