bis(N-butylbutan-1-amine);hydrogen peroxide

C16H40N2O2 — CID 87070250

IUPACbis(N-butylbutan-1-amine);hydrogen peroxide
SMILESCCCCNCCCC.CCCCNCCCC.OO
InChIInChI=1S/2C8H19N.H2O2/c2*1-3-5-7-9-8-6-4-2;1-2/h2*9H,3-8H2,1-2H3;1-2H
InChIKeyUMQTZEDRYYURGN-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.37
Rot. Bonds12

About bis(N-butylbutan-1-amine);hydrogen peroxide

bis(N-butylbutan-1-amine);hydrogen peroxide (PubChem CID 87070250) has the molecular formula C16H40N2O2 and a molecular weight of 292.51 g/mol. Its IUPAC name is bis(N-butylbutan-1-amine);hydrogen peroxide.

Molecular Properties

Compound Namebis(N-butylbutan-1-amine);hydrogen peroxide
PubChem CID87070250
Molecular FormulaC16H40N2O2
Molecular Weight292.51 g/mol
Exact Mass292.31
IUPAC Namebis(N-butylbutan-1-amine);hydrogen peroxide
SMILESCCCCNCCCC.CCCCNCCCC.OO
InChIInChI=1S/2C8H19N.H2O2/c2*1-3-5-7-9-8-6-4-2;1-2/h2*9H,3-8H2,1-2H3;1-2H
InChIKeyUMQTZEDRYYURGN-UHFFFAOYSA-N
XLogP4.37
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.37
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of bis(N-butylbutan-1-amine);hydrogen peroxide?
The IUPAC name of bis(N-butylbutan-1-amine);hydrogen peroxide (CID 87070250) is bis(N-butylbutan-1-amine);hydrogen peroxide.
What is the SMILES notation for bis(N-butylbutan-1-amine);hydrogen peroxide?
The canonical SMILES for bis(N-butylbutan-1-amine);hydrogen peroxide is CCCCNCCCC.CCCCNCCCC.OO.
What is the InChIKey of bis(N-butylbutan-1-amine);hydrogen peroxide?
The InChIKey is UMQTZEDRYYURGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H19N.H2O2/c2*1-3-5-7-9-8-6-4-2;1-2/h2*9H,3-8H2,1-2H3;1-2H.
What are the key properties of bis(N-butylbutan-1-amine);hydrogen peroxide?
bis(N-butylbutan-1-amine);hydrogen peroxide has a molecular weight of 292.51 g/mol, XLogP of 4.37, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-butylbutan-1-amine);hydrogen peroxide is sourced from PubChem (CID 87070250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).