N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid

C9H19ClN3O2P — CID 54224854

IUPACN-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid
SMILESCC(C)N(C(C)C)N(Cl)P(O)OCCC#N
InChIInChI=1S/C9H19ClN3O2P/c1-8(2)12(9(3)4)13(10)16(14)15-7-5-6-11/h8-9,14H,5,7H2,1-4H3
InChIKeyQFDAUDGIXNUFJE-UHFFFAOYSA-N
MW267.70 g/mol
LogP2.63
Rot. Bonds7

About N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid

N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid (PubChem CID 54224854) has the molecular formula C9H19ClN3O2P and a molecular weight of 267.70 g/mol. Its IUPAC name is N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid.

Molecular Properties

Compound NameN-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid
PubChem CID54224854
Molecular FormulaC9H19ClN3O2P
Molecular Weight267.70 g/mol
Exact Mass267.09
IUPAC NameN-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid
SMILESCC(C)N(C(C)C)N(Cl)P(O)OCCC#N
InChIInChI=1S/C9H19ClN3O2P/c1-8(2)12(9(3)4)13(10)16(14)15-7-5-6-11/h8-9,14H,5,7H2,1-4H3
InChIKeyQFDAUDGIXNUFJE-UHFFFAOYSA-N
XLogP2.63
TPSA59.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Cyanoethyl N,N-diisopropylchlorophosphoramidite
CID 2734844
Bis(2-cyanoethyl) N,N-Diisopropylphosphoramidite
CID 3626483
2-Cyanoethyl Hydrogen Diisopropylphosphoramidite
CID 10751287
2-Cyanoethylmethyldiisopropylphosphoramidite
CID 11117914
3-[Bis[di(propan-2-yl)amino]-dihydroxy-lambda5-phosphanyl]oxypropanenitrile
CID 90918052
[2-Cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypofluorite
CID 153336276
2-cyanoethoxy-N-(1-fluoroethyl)-N-propan-2-ylphosphonamidous acid
CID 156385194
bis(2-cyanoethoxy)phosphanyloxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 11844849
[2-Cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite
CID 15545941
2-Cyanoethyl-n,n-diisopropylchlorophosphoramidate
CID 15927910
2-Cyanoethoxy-(ethoxy)-(N,N-diisopropylamino)phosphine
CID 17764820
1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 18405949

Frequently Asked Questions

What is the IUPAC name of N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid?
The IUPAC name of N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid (CID 54224854) is N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid.
What is the SMILES notation for N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid?
The canonical SMILES for N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid is CC(C)N(C(C)C)N(Cl)P(O)OCCC#N.
What is the InChIKey of N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid?
The InChIKey is QFDAUDGIXNUFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN3O2P/c1-8(2)12(9(3)4)13(10)16(14)15-7-5-6-11/h8-9,14H,5,7H2,1-4H3.
What are the key properties of N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid?
N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid has a molecular weight of 267.70 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid is sourced from PubChem (CID 54224854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).