cyclohexylazanium;carbonate

C13H28N2O3 — CID 15793122

IUPACcyclohexylazanium;carbonate
SMILESO=C([O-])[O-].[NH3+]C1CCCCC1.[NH3+]C1CCCCC1
InChIInChI=1S/2C6H13N.CH2O3/c2*7-6-4-2-1-3-5-6;2-1(3)4/h2*6H,1-5,7H2;(H2,2,3,4)
InChIKeyMYDIEYHHUXTWFX-UHFFFAOYSA-N
MW260.38 g/mol
LogP-1.33
Rot. Bonds

About cyclohexylazanium;carbonate

cyclohexylazanium;carbonate (PubChem CID 15793122) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is cyclohexylazanium;carbonate.

Molecular Properties

Compound Namecyclohexylazanium;carbonate
PubChem CID15793122
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Namecyclohexylazanium;carbonate
SMILESO=C([O-])[O-].[NH3+]C1CCCCC1.[NH3+]C1CCCCC1
InChIInChI=1S/2C6H13N.CH2O3/c2*7-6-4-2-1-3-5-6;2-1(3)4/h2*6H,1-5,7H2;(H2,2,3,4)
InChIKeyMYDIEYHHUXTWFX-UHFFFAOYSA-N
XLogP-1.33
TPSA118.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexylazanium;2,2,2-trifluoroacetate
CID 69179131
aminoazanium;cyclohexylazanium
CID 21317022
N-bis(cyclohexylamino)phosphorylcyclohexanamine;cyclohexylazanium;acetate
CID 139084006
calcium;cyclohexane;carbonate
CID 163512778
cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane
CID 86741453
cyclotetradecanecarboxylate
CID 140590492
cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate
CID 139677117
2-azaniumylcyclohexane-1-carboxylate
CID 53400661
cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate
CID 7128324
tris(cyclohexanecarboxylate);neodymium(3+)
CID 21259897
cycloheptanecarboxylate;thallium(1+)
CID 22604442
cyclohexylazanium;2,3,4,5-tetrahydroxy-6-phosphonatooxyhexanoate
CID 167996574

Frequently Asked Questions

What is the IUPAC name of cyclohexylazanium;carbonate?
The IUPAC name of cyclohexylazanium;carbonate (CID 15793122) is cyclohexylazanium;carbonate.
What is the SMILES notation for cyclohexylazanium;carbonate?
The canonical SMILES for cyclohexylazanium;carbonate is O=C([O-])[O-].[NH3+]C1CCCCC1.[NH3+]C1CCCCC1.
What is the InChIKey of cyclohexylazanium;carbonate?
The InChIKey is MYDIEYHHUXTWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N.CH2O3/c2*7-6-4-2-1-3-5-6;2-1(3)4/h2*6H,1-5,7H2;(H2,2,3,4).
What are the key properties of cyclohexylazanium;carbonate?
cyclohexylazanium;carbonate has a molecular weight of 260.38 g/mol, XLogP of -1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylazanium;carbonate is sourced from PubChem (CID 15793122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).