5-aminooxypentyl 2-cyanoethyl hydrogen phosphite

C8H17N2O4P — CID 118258570

IUPAC5-aminooxypentyl 2-cyanoethyl hydrogen phosphite
SMILESN#CCCOP(O)OCCCCCON
InChIInChI=1S/C8H17N2O4P/c9-5-4-8-14-15(11)13-7-3-1-2-6-12-10/h11H,1-4,6-8,10H2
InChIKeyRKDSSXLCIVYCML-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.21
Rot. Bonds10

About 5-aminooxypentyl 2-cyanoethyl hydrogen phosphite

5-aminooxypentyl 2-cyanoethyl hydrogen phosphite (PubChem CID 118258570) has the molecular formula C8H17N2O4P and a molecular weight of 236.21 g/mol. Its IUPAC name is 5-aminooxypentyl 2-cyanoethyl hydrogen phosphite.

Molecular Properties

Compound Name5-aminooxypentyl 2-cyanoethyl hydrogen phosphite
PubChem CID118258570
Molecular FormulaC8H17N2O4P
Molecular Weight236.21 g/mol
Exact Mass236.09
IUPAC Name5-aminooxypentyl 2-cyanoethyl hydrogen phosphite
SMILESN#CCCOP(O)OCCCCCON
InChIInChI=1S/C8H17N2O4P/c9-5-4-8-14-15(11)13-7-3-1-2-6-12-10/h11H,1-4,6-8,10H2
InChIKeyRKDSSXLCIVYCML-UHFFFAOYSA-N
XLogP1.21
TPSA97.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2-cyanoethoxyphosphonamidous acid);sulfane
CID 174370903
O-(12-aminooxydodecyl)hydroxylamine
CID 134994458
didecyl hydrogen phosphite
CID 14151265
3-[chloro(methyl)phosphanyl]oxypropanenitrile
CID 20605747
tert-butyl(2-cyanoethoxy)phosphinous acid
CID 90741308
2-cyanoethoxy-N-methylphosphonamidous acid
CID 89056446
3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
CID 11770122
propyl tetradecyl hydrogen phosphite
CID 121403997
6-(2-cyanoethoxy)hexanenitrile
CID 142730413
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
2-cyanoethyl dodecyl carbonate
CID 155213216
6-(1,2,2-trifluoroethenoxy)hexanenitrile
CID 87328164

Frequently Asked Questions

What is the IUPAC name of 5-aminooxypentyl 2-cyanoethyl hydrogen phosphite?
The IUPAC name of 5-aminooxypentyl 2-cyanoethyl hydrogen phosphite (CID 118258570) is 5-aminooxypentyl 2-cyanoethyl hydrogen phosphite.
What is the SMILES notation for 5-aminooxypentyl 2-cyanoethyl hydrogen phosphite?
The canonical SMILES for 5-aminooxypentyl 2-cyanoethyl hydrogen phosphite is N#CCCOP(O)OCCCCCON.
What is the InChIKey of 5-aminooxypentyl 2-cyanoethyl hydrogen phosphite?
The InChIKey is RKDSSXLCIVYCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O4P/c9-5-4-8-14-15(11)13-7-3-1-2-6-12-10/h11H,1-4,6-8,10H2.
What are the key properties of 5-aminooxypentyl 2-cyanoethyl hydrogen phosphite?
5-aminooxypentyl 2-cyanoethyl hydrogen phosphite has a molecular weight of 236.21 g/mol, XLogP of 1.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminooxypentyl 2-cyanoethyl hydrogen phosphite is sourced from PubChem (CID 118258570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).