cyclohexanamine;2-diphenylphosphanylacetic acid

C20H26NO2P — CID 17389376

IUPACcyclohexanamine;2-diphenylphosphanylacetic acid
SMILESNC1CCCCC1.O=C(O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13O2P.C6H13N/c15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;7-6-4-2-1-3-5-6/h1-10H,11H2,(H,15,16);6H,1-5,7H2
InChIKeyOLHMZQGZFVDWIF-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.48
Rot. Bonds4

About cyclohexanamine;2-diphenylphosphanylacetic acid

cyclohexanamine;2-diphenylphosphanylacetic acid (PubChem CID 17389376) has the molecular formula C20H26NO2P and a molecular weight of 343.41 g/mol. Its IUPAC name is cyclohexanamine;2-diphenylphosphanylacetic acid.

Molecular Properties

Compound Namecyclohexanamine;2-diphenylphosphanylacetic acid
PubChem CID17389376
Molecular FormulaC20H26NO2P
Molecular Weight343.41 g/mol
Exact Mass343.17
IUPAC Namecyclohexanamine;2-diphenylphosphanylacetic acid
SMILESNC1CCCCC1.O=C(O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13O2P.C6H13N/c15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;7-6-4-2-1-3-5-6/h1-10H,11H2,(H,15,16);6H,1-5,7H2
InChIKeyOLHMZQGZFVDWIF-UHFFFAOYSA-N
XLogP3.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-2-(Diphenylphosphino)cyclohexanamine
CID 11166389
(1R,2R)-2-(Diphenylphosphino)cyclohexanamine
CID 11166387
2-Diphenylphosphanylcyclohexanamine
CID 85421860
(6-ammoniohexyl)triphenylphosphonium bromide TFA
CID 86685028
6-[Bromo(triphenyl)-lambda5-phosphanyl]hexylazanium;2,2,2-trifluoroacetate
CID 156874555
6-Aminohexyl(triphenyl)phosphanium;2,2,2-trifluoroacetate;hydrobromide
CID 173973329
Triphenylphosphonioglycinate
CID 13429025
alpha-Triphenylphosphonioglycinate
CID 129837734
alpha-Diphenylphosphinoglycine
CID 146170624
[6-Aminohexyl(triphenyl)-lambda5-phosphanyl] 2,2,2-trifluoroacetate
CID 172230470
(2S)-2-(diphenylphosphanylamino)propanoic acid
CID 69339221
(2R)-2-(diphenylphosphanylamino)propanoic acid
CID 69339334

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;2-diphenylphosphanylacetic acid?
The IUPAC name of cyclohexanamine;2-diphenylphosphanylacetic acid (CID 17389376) is cyclohexanamine;2-diphenylphosphanylacetic acid.
What is the SMILES notation for cyclohexanamine;2-diphenylphosphanylacetic acid?
The canonical SMILES for cyclohexanamine;2-diphenylphosphanylacetic acid is NC1CCCCC1.O=C(O)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohexanamine;2-diphenylphosphanylacetic acid?
The InChIKey is OLHMZQGZFVDWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13O2P.C6H13N/c15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;7-6-4-2-1-3-5-6/h1-10H,11H2,(H,15,16);6H,1-5,7H2.
What are the key properties of cyclohexanamine;2-diphenylphosphanylacetic acid?
cyclohexanamine;2-diphenylphosphanylacetic acid has a molecular weight of 343.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;2-diphenylphosphanylacetic acid is sourced from PubChem (CID 17389376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).