N,N,N',N'-tetrabutyldecane-1,10-diamine oxide

C26H56N2O2 — CID 102443929

IUPACN,N,N',N'-tetrabutyldecane-1,10-diamine oxide
SMILESCCCC[N+]([O-])(CCCC)CCCCCCCCCC[N+]([O-])(CCCC)CCCC
InChIInChI=1S/C26H56N2O2/c1-5-9-21-27(29,22-10-6-2)25-19-17-15-13-14-16-18-20-26-28(30,23-11-7-3)24-12-8-4/h5-26H2,1-4H3
InChIKeyRWIIFBTVNCCMLA-UHFFFAOYSA-N
MW428.75 g/mol
LogP7.94
Rot. Bonds23

About N,N,N',N'-tetrabutyldecane-1,10-diamine oxide

N,N,N',N'-tetrabutyldecane-1,10-diamine oxide (PubChem CID 102443929) has the molecular formula C26H56N2O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is N,N,N',N'-tetrabutyldecane-1,10-diamine oxide.

Molecular Properties

Compound NameN,N,N',N'-tetrabutyldecane-1,10-diamine oxide
PubChem CID102443929
Molecular FormulaC26H56N2O2
Molecular Weight428.75 g/mol
Exact Mass428.43
IUPAC NameN,N,N',N'-tetrabutyldecane-1,10-diamine oxide
SMILESCCCC[N+]([O-])(CCCC)CCCCCCCCCC[N+]([O-])(CCCC)CCCC
InChIInChI=1S/C26H56N2O2/c1-5-9-21-27(29,22-10-6-2)25-19-17-15-13-14-16-18-20-26-28(30,23-11-7-3)24-12-8-4/h5-26H2,1-4H3
InChIKeyRWIIFBTVNCCMLA-UHFFFAOYSA-N
XLogP7.94
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N,N',N'-tetrabutylpentane-1,5-diamine oxide
CID 102443928
N,N-diethylpentadecan-1-amine oxide
CID 19001167
N-(2-hydroxyethyl)-N-tetradecyltetradecan-1-amine oxide;dihydrate
CID 87317132
N,N-bis(2-chloroethyl)pentan-1-amine oxide
CID 24840966
tributyl(hexadecyl)azanium
CID 3083031
dibutyl(diheptyl)azanium
CID 87534229
tributyl(heptyl)azanium
CID 5003685
tributyl(triacontyl)azanium
CID 153322884
tributyl(octacosyl)azanium bromide
CID 153322850
tributyl(dodecyl)azanium bromide
CID 19858509
methanolate;tetraoctadecylazanium
CID 118496567
tributyl-[6-(tributylazaniumyl)hexyl]azanium dihydroxide
CID 15376281

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrabutyldecane-1,10-diamine oxide?
The IUPAC name of N,N,N',N'-tetrabutyldecane-1,10-diamine oxide (CID 102443929) is N,N,N',N'-tetrabutyldecane-1,10-diamine oxide.
What is the SMILES notation for N,N,N',N'-tetrabutyldecane-1,10-diamine oxide?
The canonical SMILES for N,N,N',N'-tetrabutyldecane-1,10-diamine oxide is CCCC[N+]([O-])(CCCC)CCCCCCCCCC[N+]([O-])(CCCC)CCCC.
What is the InChIKey of N,N,N',N'-tetrabutyldecane-1,10-diamine oxide?
The InChIKey is RWIIFBTVNCCMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N2O2/c1-5-9-21-27(29,22-10-6-2)25-19-17-15-13-14-16-18-20-26-28(30,23-11-7-3)24-12-8-4/h5-26H2,1-4H3.
What are the key properties of N,N,N',N'-tetrabutyldecane-1,10-diamine oxide?
N,N,N',N'-tetrabutyldecane-1,10-diamine oxide has a molecular weight of 428.75 g/mol, XLogP of 7.94, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabutyldecane-1,10-diamine oxide is sourced from PubChem (CID 102443929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).