2-di(propan-2-yloxy)phosphorylethanimidamide

C8H19N2O3P — CID 12609538

IUPAC2-di(propan-2-yloxy)phosphorylethanimidamide
SMILES[H]/N=C(\N)CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C8H19N2O3P/c1-6(2)12-14(11,5-8(9)10)13-7(3)4/h6-7H,5H2,1-4H3,(H3,9,10)
InChIKeyOVDHTSWKUGGKOI-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.97
Rot. Bonds6

About 2-di(propan-2-yloxy)phosphorylethanimidamide

2-di(propan-2-yloxy)phosphorylethanimidamide (PubChem CID 12609538) has the molecular formula C8H19N2O3P and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-di(propan-2-yloxy)phosphorylethanimidamide.

Molecular Properties

Compound Name2-di(propan-2-yloxy)phosphorylethanimidamide
PubChem CID12609538
Molecular FormulaC8H19N2O3P
Molecular Weight222.22 g/mol
Exact Mass222.11
IUPAC Name2-di(propan-2-yloxy)phosphorylethanimidamide
SMILES[H]/N=C(\N)CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C8H19N2O3P/c1-6(2)12-14(11,5-8(9)10)13-7(3)4/h6-7H,5H2,1-4H3,(H3,9,10)
InChIKeyOVDHTSWKUGGKOI-UHFFFAOYSA-N
XLogP1.97
TPSA85.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one
CID 134894233
di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate
CID 12810488
3-methylbutanimidamide;hydrochloride
CID 18967932
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793
[methoxy(propan-2-yloxy)phosphoryl]methyl acetate
CID 10965753
2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane
CID 102166253
(4-amino-4-imino-2-phosphonobutan-2-yl)phosphonic acid
CID 154148068
2-butan-2-yloxyethanimidamide
CID 60902733
N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide
CID 57192565
2-[1-(propan-2-yloxymethyl)cyclopropyl]ethanimidamide
CID 65492550
3-(3-methoxypropoxy)butanimidamide
CID 114995283
N,N-diethylpropan-2-amine;methane;3-methylbutanimidamide;propane-2-sulfonic acid;propan-2-yl dihydrogen phosphate;propan-2-ylphosphonic acid;triethyl(propan-2-yl)azanium
CID 158491381

Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yloxy)phosphorylethanimidamide?
The IUPAC name of 2-di(propan-2-yloxy)phosphorylethanimidamide (CID 12609538) is 2-di(propan-2-yloxy)phosphorylethanimidamide.
What is the SMILES notation for 2-di(propan-2-yloxy)phosphorylethanimidamide?
The canonical SMILES for 2-di(propan-2-yloxy)phosphorylethanimidamide is [H]/N=C(\N)CP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-di(propan-2-yloxy)phosphorylethanimidamide?
The InChIKey is OVDHTSWKUGGKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O3P/c1-6(2)12-14(11,5-8(9)10)13-7(3)4/h6-7H,5H2,1-4H3,(H3,9,10).
What are the key properties of 2-di(propan-2-yloxy)phosphorylethanimidamide?
2-di(propan-2-yloxy)phosphorylethanimidamide has a molecular weight of 222.22 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yloxy)phosphorylethanimidamide is sourced from PubChem (CID 12609538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).