(2-aminocyclohexyl) hydrogen carbonate;hydrochloride

C7H14ClNO3 — CID 171616826

IUPAC(2-aminocyclohexyl) hydrogen carbonate;hydrochloride
SMILESCl.NC1CCCCC1OC(=O)O
InChIInChI=1S/C7H13NO3.ClH/c8-5-3-1-2-4-6(5)11-7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H
InChIKeyOPSYFPVBFNCRFN-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.37
Rot. Bonds1

About (2-aminocyclohexyl) hydrogen carbonate;hydrochloride

(2-aminocyclohexyl) hydrogen carbonate;hydrochloride (PubChem CID 171616826) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is (2-aminocyclohexyl) hydrogen carbonate;hydrochloride.

Molecular Properties

Compound Name(2-aminocyclohexyl) hydrogen carbonate;hydrochloride
PubChem CID171616826
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name(2-aminocyclohexyl) hydrogen carbonate;hydrochloride
SMILESCl.NC1CCCCC1OC(=O)O
InChIInChI=1S/C7H13NO3.ClH/c8-5-3-1-2-4-6(5)11-7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H
InChIKeyOPSYFPVBFNCRFN-UHFFFAOYSA-N
XLogP1.37
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl) hydrogen carbonate;hydrochloride?
The IUPAC name of (2-aminocyclohexyl) hydrogen carbonate;hydrochloride (CID 171616826) is (2-aminocyclohexyl) hydrogen carbonate;hydrochloride.
What is the SMILES notation for (2-aminocyclohexyl) hydrogen carbonate;hydrochloride?
The canonical SMILES for (2-aminocyclohexyl) hydrogen carbonate;hydrochloride is Cl.NC1CCCCC1OC(=O)O.
What is the InChIKey of (2-aminocyclohexyl) hydrogen carbonate;hydrochloride?
The InChIKey is OPSYFPVBFNCRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c8-5-3-1-2-4-6(5)11-7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H.
What are the key properties of (2-aminocyclohexyl) hydrogen carbonate;hydrochloride?
(2-aminocyclohexyl) hydrogen carbonate;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl) hydrogen carbonate;hydrochloride is sourced from PubChem (CID 171616826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).