N-butylbutan-1-amine;hydrogen peroxide

C8H21NO2 — CID 87070251

IUPACN-butylbutan-1-amine;hydrogen peroxide
SMILESCCCCNCCCC.OO
InChIInChI=1S/C8H19N.H2O2/c1-3-5-7-9-8-6-4-2;1-2/h9H,3-8H2,1-2H3;1-2H
InChIKeyPVYWWWFTKGDYCQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.19
Rot. Bonds6

About N-butylbutan-1-amine;hydrogen peroxide

N-butylbutan-1-amine;hydrogen peroxide (PubChem CID 87070251) has the molecular formula C8H21NO2 and a molecular weight of 163.26 g/mol. Its IUPAC name is N-butylbutan-1-amine;hydrogen peroxide.

Molecular Properties

Compound NameN-butylbutan-1-amine;hydrogen peroxide
PubChem CID87070251
Molecular FormulaC8H21NO2
Molecular Weight163.26 g/mol
Exact Mass163.16
IUPAC NameN-butylbutan-1-amine;hydrogen peroxide
SMILESCCCCNCCCC.OO
InChIInChI=1S/C8H19N.H2O2/c1-3-5-7-9-8-6-4-2;1-2/h9H,3-8H2,1-2H3;1-2H
InChIKeyPVYWWWFTKGDYCQ-UHFFFAOYSA-N
XLogP2.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.19
H-Bond Donors ≤ 53
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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Related Compounds

Dibutylamine
CID 8148
Di-n-butyl ammonium
CID 4094028
DI-N-Butyl-D18-amine
CID 90470959
N,N-Dibutylbutan-1-amine--water (1/1)
CID 21864270
Tripropylammonium hydroxide
CID 21903335
N-butylbutan-1-amine;hydron
CID 174710116
N-butyl-2-hydroperoxybutan-2-amine
CID 134928809
N'-(4-aminobutyl)butane-1,4-diamine;hydrate
CID 71342355
N-butylbutan-1-amine;sulfurous acid
CID 12998341
Dibutylazanium hydroxide
CID 20080343
Dipropylazanium hydroxide
CID 20080349
Hydrogen sulfite;tributylazanium
CID 21903277

Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;hydrogen peroxide?
The IUPAC name of N-butylbutan-1-amine;hydrogen peroxide (CID 87070251) is N-butylbutan-1-amine;hydrogen peroxide.
What is the SMILES notation for N-butylbutan-1-amine;hydrogen peroxide?
The canonical SMILES for N-butylbutan-1-amine;hydrogen peroxide is CCCCNCCCC.OO.
What is the InChIKey of N-butylbutan-1-amine;hydrogen peroxide?
The InChIKey is PVYWWWFTKGDYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.H2O2/c1-3-5-7-9-8-6-4-2;1-2/h9H,3-8H2,1-2H3;1-2H.
What are the key properties of N-butylbutan-1-amine;hydrogen peroxide?
N-butylbutan-1-amine;hydrogen peroxide has a molecular weight of 163.26 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;hydrogen peroxide is sourced from PubChem (CID 87070251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).