cyclohexyl(dimethyl)azanium acetate

C10H21NO2 — CID 57376524

IUPACcyclohexyl(dimethyl)azanium acetate
SMILESCC(=O)[O-].C[NH+](C)C1CCCCC1
InChIInChI=1S/C8H17N.C2H4O2/c1-9(2)8-6-4-3-5-7-8;1-2(3)4/h8H,3-7H2,1-2H3;1H3,(H,3,4)
InChIKeyLDQFAGZKMFMHFS-UHFFFAOYSA-N
MW187.28 g/mol
LogP-0.78
Rot. Bonds1

About cyclohexyl(dimethyl)azanium acetate

cyclohexyl(dimethyl)azanium acetate (PubChem CID 57376524) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is cyclohexyl(dimethyl)azanium acetate.

Molecular Properties

Compound Namecyclohexyl(dimethyl)azanium acetate
PubChem CID57376524
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namecyclohexyl(dimethyl)azanium acetate
SMILESCC(=O)[O-].C[NH+](C)C1CCCCC1
InChIInChI=1S/C8H17N.C2H4O2/c1-9(2)8-6-4-3-5-7-8;1-2(3)4/h8H,3-7H2,1-2H3;1H3,(H,3,4)
InChIKeyLDQFAGZKMFMHFS-UHFFFAOYSA-N
XLogP-0.78
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dicyclohexylammonium acetate
CID 26619
Cyclohexylazanium acetate
CID 53431162
N-Hexylhexan-1-aminium acetate
CID 44630082
Dicyclohexylaminacetat
CID 70169250
Methyl 3-(cyclohexylamino)propanoate
CID 11458109
Cyclohexyl(trimethyl)azanium acetate
CID 67604921
Methylcyclohexylamine carbonate
CID 67771503
Hexyl-dimethylammonium acetate
CID 132888314
Cyclohexyl(dimethyl)azanium;2,2,2-trifluoroacetate
CID 89463850
Sodium 3-(cyclohexylamino)propanoate
CID 90478284
3-(Cyclohexylazaniumyl)propanoate
CID 42554352
N-methylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 178871788

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(dimethyl)azanium acetate?
The IUPAC name of cyclohexyl(dimethyl)azanium acetate (CID 57376524) is cyclohexyl(dimethyl)azanium acetate.
What is the SMILES notation for cyclohexyl(dimethyl)azanium acetate?
The canonical SMILES for cyclohexyl(dimethyl)azanium acetate is CC(=O)[O-].C[NH+](C)C1CCCCC1.
What is the InChIKey of cyclohexyl(dimethyl)azanium acetate?
The InChIKey is LDQFAGZKMFMHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H4O2/c1-9(2)8-6-4-3-5-7-8;1-2(3)4/h8H,3-7H2,1-2H3;1H3,(H,3,4).
What are the key properties of cyclohexyl(dimethyl)azanium acetate?
cyclohexyl(dimethyl)azanium acetate has a molecular weight of 187.28 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(dimethyl)azanium acetate is sourced from PubChem (CID 57376524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).