(cyclohexylamino)-cyclohexyloxy-oxophosphanium

C12H23NO2P+ — CID 163740962

IUPAC(cyclohexylamino)-cyclohexyloxy-oxophosphanium
SMILESO=[P+](NC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C12H23NO2P/c14-16(13-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,13,14)/q+1
InChIKeyGRAFVYFFRVVMKA-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.92
Rot. Bonds4

About (cyclohexylamino)-cyclohexyloxy-oxophosphanium

(cyclohexylamino)-cyclohexyloxy-oxophosphanium (PubChem CID 163740962) has the molecular formula C12H23NO2P+ and a molecular weight of 244.29 g/mol. Its IUPAC name is (cyclohexylamino)-cyclohexyloxy-oxophosphanium.

Molecular Properties

Compound Name(cyclohexylamino)-cyclohexyloxy-oxophosphanium
PubChem CID163740962
Molecular FormulaC12H23NO2P+
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name(cyclohexylamino)-cyclohexyloxy-oxophosphanium
SMILESO=[P+](NC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C12H23NO2P/c14-16(13-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,13,14)/q+1
InChIKeyGRAFVYFFRVVMKA-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

di(cyclooctyloxy)-oxophosphanium
CID 164745910
cyclohexyl N-cyclopentylcarbamate
CID 127539095
cyclododecyl N-cyclobutylcarbamate
CID 135210614
CID 173424592
CID 173424592
dicyclononyl carbonate
CID 139618210
phosphorosooxycyclohexane
CID 18717017
1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium
CID 66797035
cyclopentyl N-methylcarbamate
CID 23548767
1,2-di(cyclononyl)hydrazine
CID 155042261
1-cyclobutyl-3-cyclohexylurea
CID 17217147
CID 178075787
CID 178075787
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044

Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino)-cyclohexyloxy-oxophosphanium?
The IUPAC name of (cyclohexylamino)-cyclohexyloxy-oxophosphanium (CID 163740962) is (cyclohexylamino)-cyclohexyloxy-oxophosphanium.
What is the SMILES notation for (cyclohexylamino)-cyclohexyloxy-oxophosphanium?
The canonical SMILES for (cyclohexylamino)-cyclohexyloxy-oxophosphanium is O=[P+](NC1CCCCC1)OC1CCCCC1.
What is the InChIKey of (cyclohexylamino)-cyclohexyloxy-oxophosphanium?
The InChIKey is GRAFVYFFRVVMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2P/c14-16(13-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,13,14)/q+1.
What are the key properties of (cyclohexylamino)-cyclohexyloxy-oxophosphanium?
(cyclohexylamino)-cyclohexyloxy-oxophosphanium has a molecular weight of 244.29 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino)-cyclohexyloxy-oxophosphanium is sourced from PubChem (CID 163740962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).