2-methyl-N-propylperoxypropan-2-amine

C7H17NO2 — CID 175085113

IUPAC2-methyl-N-propylperoxypropan-2-amine
SMILESCCCOONC(C)(C)C
InChIInChI=1S/C7H17NO2/c1-5-6-9-10-8-7(2,3)4/h8H,5-6H2,1-4H3
InChIKeyNYTBVDIPRVAUJE-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.65
Rot. Bonds4

About 2-methyl-N-propylperoxypropan-2-amine

2-methyl-N-propylperoxypropan-2-amine (PubChem CID 175085113) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-methyl-N-propylperoxypropan-2-amine.

Molecular Properties

Compound Name2-methyl-N-propylperoxypropan-2-amine
PubChem CID175085113
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-methyl-N-propylperoxypropan-2-amine
SMILESCCCOONC(C)(C)C
InChIInChI=1S/C7H17NO2/c1-5-6-9-10-8-7(2,3)4/h8H,5-6H2,1-4H3
InChIKeyNYTBVDIPRVAUJE-UHFFFAOYSA-N
XLogP1.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methyl-N-propylperoxypropan-2-amine?
The IUPAC name of 2-methyl-N-propylperoxypropan-2-amine (CID 175085113) is 2-methyl-N-propylperoxypropan-2-amine.
What is the SMILES notation for 2-methyl-N-propylperoxypropan-2-amine?
The canonical SMILES for 2-methyl-N-propylperoxypropan-2-amine is CCCOONC(C)(C)C.
What is the InChIKey of 2-methyl-N-propylperoxypropan-2-amine?
The InChIKey is NYTBVDIPRVAUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-5-6-9-10-8-7(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-propylperoxypropan-2-amine?
2-methyl-N-propylperoxypropan-2-amine has a molecular weight of 147.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propylperoxypropan-2-amine is sourced from PubChem (CID 175085113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).