cyclohexyl(trimethyl)azanium formate

C10H21NO2 — CID 22408891

IUPACcyclohexyl(trimethyl)azanium formate
SMILESC[N+](C)(C)C1CCCCC1.O=C[O-]
InChIInChI=1S/C9H20N.CH2O2/c1-10(2,3)9-7-5-4-6-8-9;2-1-3/h9H,4-8H2,1-3H3;1H,(H,2,3)/q+1;/p-1
InChIKeySRNKZMFSGABBGG-UHFFFAOYSA-M
MW187.28 g/mol
LogP0.39
Rot. Bonds1

About cyclohexyl(trimethyl)azanium formate

cyclohexyl(trimethyl)azanium formate (PubChem CID 22408891) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is cyclohexyl(trimethyl)azanium formate.

Molecular Properties

Compound Namecyclohexyl(trimethyl)azanium formate
PubChem CID22408891
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namecyclohexyl(trimethyl)azanium formate
SMILESC[N+](C)(C)C1CCCCC1.O=C[O-]
InChIInChI=1S/C9H20N.CH2O2/c1-10(2,3)9-7-5-4-6-8-9;2-1-3/h9H,4-8H2,1-3H3;1H,(H,2,3)/q+1;/p-1
InChIKeySRNKZMFSGABBGG-UHFFFAOYSA-M
XLogP0.39
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(trimethyl)azanium formate?
The IUPAC name of cyclohexyl(trimethyl)azanium formate (CID 22408891) is cyclohexyl(trimethyl)azanium formate.
What is the SMILES notation for cyclohexyl(trimethyl)azanium formate?
The canonical SMILES for cyclohexyl(trimethyl)azanium formate is C[N+](C)(C)C1CCCCC1.O=C[O-].
What is the InChIKey of cyclohexyl(trimethyl)azanium formate?
The InChIKey is SRNKZMFSGABBGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N.CH2O2/c1-10(2,3)9-7-5-4-6-8-9;2-1-3/h9H,4-8H2,1-3H3;1H,(H,2,3)/q+1;/p-1.
What are the key properties of cyclohexyl(trimethyl)azanium formate?
cyclohexyl(trimethyl)azanium formate has a molecular weight of 187.28 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(trimethyl)azanium formate is sourced from PubChem (CID 22408891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).