N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid

C9H18NO2P — CID 88954976

IUPACN,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid
SMILESC#CCOP(O)N(C(C)C)C(C)C
InChIInChI=1S/C9H18NO2P/c1-6-7-12-13(11)10(8(2)3)9(4)5/h1,8-9,11H,7H2,2-5H3
InChIKeyGHASZJRLWYCJOE-UHFFFAOYSA-N
MW203.22 g/mol
LogP1.97
Rot. Bonds5

About N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid

N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid (PubChem CID 88954976) has the molecular formula C9H18NO2P and a molecular weight of 203.22 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid
PubChem CID88954976
Molecular FormulaC9H18NO2P
Molecular Weight203.22 g/mol
Exact Mass203.11
IUPAC NameN,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid
SMILESC#CCOP(O)N(C(C)C)C(C)C
InChIInChI=1S/C9H18NO2P/c1-6-7-12-13(11)10(8(2)3)9(4)5/h1,8-9,11H,7H2,2-5H3
InChIKeyGHASZJRLWYCJOE-UHFFFAOYSA-N
XLogP1.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3'-O-ethyl-N,N-diisopropylphosphoramidite
CID 195451
N-diethoxyphosphanyl-N-methylprop-2-yn-1-amine
CID 13087644
N-[(2-methylpropan-2-yl)oxy-pent-4-ynoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 49782882
N-(diethoxy-iodo-methyl-lambda5-phosphanyl)-N-ethylprop-2-yn-1-amine
CID 134885595
N-diethoxyphosphanyl-N-ethylprop-2-yn-1-amine
CID 134897203
Diethoxy-[ethyl(prop-2-ynyl)amino]-methylphosphanium iodide
CID 176445046
Diethyl N,N-Diisopropylphosphoramidite
CID 4185604
N-bis(prop-2-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
CID 24984007
N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
CID 24984157
N-bis(pent-4-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
CID 57387967
N-dipropoxyphosphanyl-N-propan-2-ylpropan-2-amine
CID 58184214
butoxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 87549507

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid?
The IUPAC name of N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid (CID 88954976) is N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid.
What is the SMILES notation for N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid?
The canonical SMILES for N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid is C#CCOP(O)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid?
The InChIKey is GHASZJRLWYCJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2P/c1-6-7-12-13(11)10(8(2)3)9(4)5/h1,8-9,11H,7H2,2-5H3.
What are the key properties of N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid?
N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid has a molecular weight of 203.22 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-prop-2-ynoxyphosphonamidous acid is sourced from PubChem (CID 88954976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).