dicyclohexylazanium acetate

C14H27NO2 — CID 26619

IUPACdicyclohexylazanium acetate
SMILESC1CCC([NH2+]C2CCCCC2)CC1.CC(=O)[O-]
InChIInChI=1S/C12H23N.C2H4O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2(3)4/h11-13H,1-10H2;1H3,(H,3,4)
InChIKeyNDZUIBYQGLEFIJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP0.97
Rot. Bonds2

About dicyclohexylazanium acetate

dicyclohexylazanium acetate (PubChem CID 26619) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is dicyclohexylazanium acetate.

Molecular Properties

Compound Namedicyclohexylazanium acetate
PubChem CID26619
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namedicyclohexylazanium acetate
SMILESC1CCC([NH2+]C2CCCCC2)CC1.CC(=O)[O-]
InChIInChI=1S/C12H23N.C2H4O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2(3)4/h11-13H,1-10H2;1H3,(H,3,4)
InChIKeyNDZUIBYQGLEFIJ-UHFFFAOYSA-N
XLogP0.97
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexylcyclohexanamine;propan-2-one
CID 162214
N-Hexylhexan-1-aminium acetate
CID 44630082
Cyclohexyl(dimethyl)azanium acetate
CID 57376524
Dicyclohexylaminacetat
CID 70169250
Methyl 3-(cyclohexylamino)propanoate
CID 11458109
Dicyclohexylamine bicarbonate
CID 12221448
Dicyclohexylammonium 2,2,2-trifluoroacetate
CID 42884663
N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 46832469
Sodium 3-(cyclohexylamino)propanoate
CID 90478284
3-(Cyclohexylazaniumyl)propanoate
CID 42554352
Dicyclohexylammonium bromoacetate
CID 168327299
acetic acid;N-methylcyclohexanamine
CID 17959583

Frequently Asked Questions

What is the IUPAC name of dicyclohexylazanium acetate?
The IUPAC name of dicyclohexylazanium acetate (CID 26619) is dicyclohexylazanium acetate.
What is the SMILES notation for dicyclohexylazanium acetate?
The canonical SMILES for dicyclohexylazanium acetate is C1CCC([NH2+]C2CCCCC2)CC1.CC(=O)[O-].
What is the InChIKey of dicyclohexylazanium acetate?
The InChIKey is NDZUIBYQGLEFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C2H4O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2(3)4/h11-13H,1-10H2;1H3,(H,3,4).
What are the key properties of dicyclohexylazanium acetate?
dicyclohexylazanium acetate has a molecular weight of 241.37 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylazanium acetate is sourced from PubChem (CID 26619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).