N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine

C10H24NO4P — CID 22328429

IUPACN-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine
SMILESCCOOP(OOCC)N(C(C)C)C(C)C
InChIInChI=1S/C10H24NO4P/c1-7-12-14-16(15-13-8-2)11(9(3)4)10(5)6/h9-10H,7-8H2,1-6H3
InChIKeyKNHIJUMOIWLCDK-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.27
Rot. Bonds9

About N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine

N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine (PubChem CID 22328429) has the molecular formula C10H24NO4P and a molecular weight of 253.28 g/mol. Its IUPAC name is N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine
PubChem CID22328429
Molecular FormulaC10H24NO4P
Molecular Weight253.28 g/mol
Exact Mass253.14
IUPAC NameN-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine
SMILESCCOOP(OOCC)N(C(C)C)C(C)C
InChIInChI=1S/C10H24NO4P/c1-7-12-14-16(15-13-8-2)11(9(3)4)10(5)6/h9-10H,7-8H2,1-6H3
InChIKeyKNHIJUMOIWLCDK-UHFFFAOYSA-N
XLogP3.27
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine (CID 22328429) is N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine is CCOOP(OOCC)N(C(C)C)C(C)C.
What is the InChIKey of N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
The InChIKey is KNHIJUMOIWLCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO4P/c1-7-12-14-16(15-13-8-2)11(9(3)4)10(5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine?
N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine has a molecular weight of 253.28 g/mol, XLogP of 3.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(ethylperoxy)phosphanyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 22328429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).