cyclohexyl-methoxycarbonyl-methylideneazanium

C9H16NO2+ — CID 58361211

IUPACcyclohexyl-methoxycarbonyl-methylideneazanium
SMILESC=[N+](C(=O)OC)C1CCCCC1
InChIInChI=1S/C9H16NO2/c1-10(9(11)12-2)8-6-4-3-5-7-8/h8H,1,3-7H2,2H3/q+1
InChIKeyGBAQEZDSQQNBLN-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.80
Rot. Bonds1

About cyclohexyl-methoxycarbonyl-methylideneazanium

cyclohexyl-methoxycarbonyl-methylideneazanium (PubChem CID 58361211) has the molecular formula C9H16NO2+ and a molecular weight of 170.23 g/mol. Its IUPAC name is cyclohexyl-methoxycarbonyl-methylideneazanium.

Molecular Properties

Compound Namecyclohexyl-methoxycarbonyl-methylideneazanium
PubChem CID58361211
Molecular FormulaC9H16NO2+
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Namecyclohexyl-methoxycarbonyl-methylideneazanium
SMILESC=[N+](C(=O)OC)C1CCCCC1
InChIInChI=1S/C9H16NO2/c1-10(9(11)12-2)8-6-4-3-5-7-8/h8H,1,3-7H2,2H3/q+1
InChIKeyGBAQEZDSQQNBLN-UHFFFAOYSA-N
XLogP1.80
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-bromo-2-cyclodecylacetate
CID 89276662
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl 3-cyclohexyl-2-oxopentanoate
CID 174214422
cyclohexyl hydrogen carbonate;iodomethane
CID 174434119
methyl N-cyclohexadecylcarbamate
CID 131977131
methyl (3S)-2,2-dichloro-3-cyclohexyl-3-hydroxypropanoate
CID 12034295
cycloheptyl hydrogen carbonate
CID 23179405
methyl 4-cyclooctyl-4-oxobutanoate
CID 155214467
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
methyl N-(1-cyclohexylprop-2-enyl)carbamate
CID 121221949

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-methoxycarbonyl-methylideneazanium?
The IUPAC name of cyclohexyl-methoxycarbonyl-methylideneazanium (CID 58361211) is cyclohexyl-methoxycarbonyl-methylideneazanium.
What is the SMILES notation for cyclohexyl-methoxycarbonyl-methylideneazanium?
The canonical SMILES for cyclohexyl-methoxycarbonyl-methylideneazanium is C=[N+](C(=O)OC)C1CCCCC1.
What is the InChIKey of cyclohexyl-methoxycarbonyl-methylideneazanium?
The InChIKey is GBAQEZDSQQNBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO2/c1-10(9(11)12-2)8-6-4-3-5-7-8/h8H,1,3-7H2,2H3/q+1.
What are the key properties of cyclohexyl-methoxycarbonyl-methylideneazanium?
cyclohexyl-methoxycarbonyl-methylideneazanium has a molecular weight of 170.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-methoxycarbonyl-methylideneazanium is sourced from PubChem (CID 58361211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).