2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate

C10H22N2O3 — CID 167121741

IUPAC2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate
SMILESCC(C)/N=C(\NC(C)C)OC(C)(C)OO
InChIInChI=1S/C10H22N2O3/c1-7(2)11-9(12-8(3)4)14-10(5,6)15-13/h7-8,13H,1-6H3,(H,11,12)
InChIKeyYNETYXSVJONANR-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.99
Rot. Bonds4

About 2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate

2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate (PubChem CID 167121741) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate.

Molecular Properties

Compound Name2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate
PubChem CID167121741
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate
SMILESCC(C)/N=C(\NC(C)C)OC(C)(C)OO
InChIInChI=1S/C10H22N2O3/c1-7(2)11-9(12-8(3)4)14-10(5,6)15-13/h7-8,13H,1-6H3,(H,11,12)
InChIKeyYNETYXSVJONANR-UHFFFAOYSA-N
XLogP1.99
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate?
The IUPAC name of 2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate (CID 167121741) is 2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate.
What is the SMILES notation for 2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate?
The canonical SMILES for 2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate is CC(C)/N=C(\NC(C)C)OC(C)(C)OO.
What is the InChIKey of 2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate?
The InChIKey is YNETYXSVJONANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-7(2)11-9(12-8(3)4)14-10(5,6)15-13/h7-8,13H,1-6H3,(H,11,12).
What are the key properties of 2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate?
2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate has a molecular weight of 218.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxypropan-2-yl N,N'-di(propan-2-yl)carbamimidate is sourced from PubChem (CID 167121741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).