(cyclohexylmethylamino)phosphonic acid

C7H16NO3P — CID 166772294

IUPAC(cyclohexylmethylamino)phosphonic acid
SMILESO=P(O)(O)NCC1CCCCC1
InChIInChI=1S/C7H16NO3P/c9-12(10,11)8-6-7-4-2-1-3-5-7/h7H,1-6H2,(H3,8,9,10,11)
InChIKeyHNFKWOLCTZGLQP-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.25
Rot. Bonds3

About (cyclohexylmethylamino)phosphonic acid

(cyclohexylmethylamino)phosphonic acid (PubChem CID 166772294) has the molecular formula C7H16NO3P and a molecular weight of 193.18 g/mol. Its IUPAC name is (cyclohexylmethylamino)phosphonic acid.

Molecular Properties

Compound Name(cyclohexylmethylamino)phosphonic acid
PubChem CID166772294
Molecular FormulaC7H16NO3P
Molecular Weight193.18 g/mol
Exact Mass193.09
IUPAC Name(cyclohexylmethylamino)phosphonic acid
SMILESO=P(O)(O)NCC1CCCCC1
InChIInChI=1S/C7H16NO3P/c9-12(10,11)8-6-7-4-2-1-3-5-7/h7H,1-6H2,(H3,8,9,10,11)
InChIKeyHNFKWOLCTZGLQP-UHFFFAOYSA-N
XLogP1.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylmethyl dihydrogen phosphate
CID 14982025
1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine
CID 122186104
cyclohexylmethylphosphonic acid;hydrate
CID 70153007
(cyclononylmethylamino)methanol
CID 137465268
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
potassium;cyclohexylmethylphosphonic acid;hydride
CID 173417626
N-amino-(cyclopentylmethoxy)phosphonamidic acid
CID 174683153
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
2-(cycloundecylmethylamino)ethanol
CID 123930521
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
cycloheptylmethyl 2-(cyclopropylmethylamino)acetate
CID 114248573

Frequently Asked Questions

What is the IUPAC name of (cyclohexylmethylamino)phosphonic acid?
The IUPAC name of (cyclohexylmethylamino)phosphonic acid (CID 166772294) is (cyclohexylmethylamino)phosphonic acid.
What is the SMILES notation for (cyclohexylmethylamino)phosphonic acid?
The canonical SMILES for (cyclohexylmethylamino)phosphonic acid is O=P(O)(O)NCC1CCCCC1.
What is the InChIKey of (cyclohexylmethylamino)phosphonic acid?
The InChIKey is HNFKWOLCTZGLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3P/c9-12(10,11)8-6-7-4-2-1-3-5-7/h7H,1-6H2,(H3,8,9,10,11).
What are the key properties of (cyclohexylmethylamino)phosphonic acid?
(cyclohexylmethylamino)phosphonic acid has a molecular weight of 193.18 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylmethylamino)phosphonic acid is sourced from PubChem (CID 166772294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).