N,N-dibutylbutan-1-amine;hydrogen peroxide

C12H29NO2 — CID 87070191

IUPACN,N-dibutylbutan-1-amine;hydrogen peroxide
SMILESCCCCN(CCCC)CCCC.OO
InChIInChI=1S/C12H27N.H2O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2/h4-12H2,1-3H3;1-2H
InChIKeyAMJQGYXUNBZNSH-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.71
Rot. Bonds9

About N,N-dibutylbutan-1-amine;hydrogen peroxide

N,N-dibutylbutan-1-amine;hydrogen peroxide (PubChem CID 87070191) has the molecular formula C12H29NO2 and a molecular weight of 219.37 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;hydrogen peroxide.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;hydrogen peroxide
PubChem CID87070191
Molecular FormulaC12H29NO2
Molecular Weight219.37 g/mol
Exact Mass219.22
IUPAC NameN,N-dibutylbutan-1-amine;hydrogen peroxide
SMILESCCCCN(CCCC)CCCC.OO
InChIInChI=1S/C12H27N.H2O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2/h4-12H2,1-3H3;1-2H
InChIKeyAMJQGYXUNBZNSH-UHFFFAOYSA-N
XLogP3.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
boric acid;bis(N,N-dibutylbutan-1-amine)
CID 172841761
N,N-dibutylbutan-1-amine;propanoic acid
CID 173098736
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N,N-dibutylpentadecan-1-amine
CID 4175227
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;hydrogen peroxide?
The IUPAC name of N,N-dibutylbutan-1-amine;hydrogen peroxide (CID 87070191) is N,N-dibutylbutan-1-amine;hydrogen peroxide.
What is the SMILES notation for N,N-dibutylbutan-1-amine;hydrogen peroxide?
The canonical SMILES for N,N-dibutylbutan-1-amine;hydrogen peroxide is CCCCN(CCCC)CCCC.OO.
What is the InChIKey of N,N-dibutylbutan-1-amine;hydrogen peroxide?
The InChIKey is AMJQGYXUNBZNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.H2O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2/h4-12H2,1-3H3;1-2H.
What are the key properties of N,N-dibutylbutan-1-amine;hydrogen peroxide?
N,N-dibutylbutan-1-amine;hydrogen peroxide has a molecular weight of 219.37 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine;hydrogen peroxide is sourced from PubChem (CID 87070191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).