(1-aminocyclohexyl)-butoxyphosphinate

C10H21NO3P- — CID 71368025

IUPAC(1-aminocyclohexyl)-butoxyphosphinate
SMILESCCCCOP(=O)([O-])C1(N)CCCCC1
InChIInChI=1S/C10H22NO3P/c1-2-3-9-14-15(12,13)10(11)7-5-4-6-8-10/h2-9,11H2,1H3,(H,12,13)/p-1
InChIKeyDGCGLUUPBYWWOG-UHFFFAOYSA-M
MW234.26 g/mol
LogP1.98
Rot. Bonds5

About (1-aminocyclohexyl)-butoxyphosphinate

(1-aminocyclohexyl)-butoxyphosphinate (PubChem CID 71368025) has the molecular formula C10H21NO3P- and a molecular weight of 234.26 g/mol. Its IUPAC name is (1-aminocyclohexyl)-butoxyphosphinate.

Molecular Properties

Compound Name(1-aminocyclohexyl)-butoxyphosphinate
PubChem CID71368025
Molecular FormulaC10H21NO3P-
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name(1-aminocyclohexyl)-butoxyphosphinate
SMILESCCCCOP(=O)([O-])C1(N)CCCCC1
InChIInChI=1S/C10H22NO3P/c1-2-3-9-14-15(12,13)10(11)7-5-4-6-8-10/h2-9,11H2,1H3,(H,12,13)/p-1
InChIKeyDGCGLUUPBYWWOG-UHFFFAOYSA-M
XLogP1.98
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butoxy-[1-(butylamino)cyclohexyl]phosphinate
CID 71368027
magnesium dibutyl phosphate
CID 21400580
butyl phosphate;titanium(2+)
CID 141032733
N-(1-dibutoxyphosphorylcyclohexyl)butan-1-imine
CID 71367631
hexyl 1-aminocyclohexane-1-carboxylate
CID 61301911
octyl 1-aminocyclohexane-1-carboxylate
CID 61303894
butyl propyl phosphate;nickel
CID 88805143
dibutyl phosphate;tetramethylphosphanium
CID 87474476
propyl 1-aminocycloheptane-1-carboxylate
CID 43248011
butyl (1-propylcyclopentyl) hydrogen phosphate
CID 139845994
dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 155387692
sodium butyl decyl phosphate
CID 174997110

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-butoxyphosphinate?
The IUPAC name of (1-aminocyclohexyl)-butoxyphosphinate (CID 71368025) is (1-aminocyclohexyl)-butoxyphosphinate.
What is the SMILES notation for (1-aminocyclohexyl)-butoxyphosphinate?
The canonical SMILES for (1-aminocyclohexyl)-butoxyphosphinate is CCCCOP(=O)([O-])C1(N)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-butoxyphosphinate?
The InChIKey is DGCGLUUPBYWWOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22NO3P/c1-2-3-9-14-15(12,13)10(11)7-5-4-6-8-10/h2-9,11H2,1H3,(H,12,13)/p-1.
What are the key properties of (1-aminocyclohexyl)-butoxyphosphinate?
(1-aminocyclohexyl)-butoxyphosphinate has a molecular weight of 234.26 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-butoxyphosphinate is sourced from PubChem (CID 71368025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).