N-[ethyl(propyl)amino]peroxypropan-1-amine

C8H20N2O2 — CID 168877547

IUPACN-[ethyl(propyl)amino]peroxypropan-1-amine
SMILESCCCNOON(CC)CCC
InChIInChI=1S/C8H20N2O2/c1-4-7-9-11-12-10(6-3)8-5-2/h9H,4-8H2,1-3H3
InChIKeyBJNJVZSYVLWAGT-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.50
Rot. Bonds8

About N-[ethyl(propyl)amino]peroxypropan-1-amine

N-[ethyl(propyl)amino]peroxypropan-1-amine (PubChem CID 168877547) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[ethyl(propyl)amino]peroxypropan-1-amine.

Molecular Properties

Compound NameN-[ethyl(propyl)amino]peroxypropan-1-amine
PubChem CID168877547
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC NameN-[ethyl(propyl)amino]peroxypropan-1-amine
SMILESCCCNOON(CC)CCC
InChIInChI=1S/C8H20N2O2/c1-4-7-9-11-12-10(6-3)8-5-2/h9H,4-8H2,1-3H3
InChIKeyBJNJVZSYVLWAGT-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze N-[ethyl(propyl)amino]peroxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(propyl)amino]peroxypropan-1-amine?
The IUPAC name of N-[ethyl(propyl)amino]peroxypropan-1-amine (CID 168877547) is N-[ethyl(propyl)amino]peroxypropan-1-amine.
What is the SMILES notation for N-[ethyl(propyl)amino]peroxypropan-1-amine?
The canonical SMILES for N-[ethyl(propyl)amino]peroxypropan-1-amine is CCCNOON(CC)CCC.
What is the InChIKey of N-[ethyl(propyl)amino]peroxypropan-1-amine?
The InChIKey is BJNJVZSYVLWAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-4-7-9-11-12-10(6-3)8-5-2/h9H,4-8H2,1-3H3.
What are the key properties of N-[ethyl(propyl)amino]peroxypropan-1-amine?
N-[ethyl(propyl)amino]peroxypropan-1-amine has a molecular weight of 176.26 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(propyl)amino]peroxypropan-1-amine is sourced from PubChem (CID 168877547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).