N,N-diethylpentadecan-1-amine oxide

C19H41NO — CID 19001167

IUPACN,N-diethylpentadecan-1-amine oxide
SMILESCCCCCCCCCCCCCCC[N+]([O-])(CC)CC
InChIInChI=1S/C19H41NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21,5-2)6-3/h4-19H2,1-3H3
InChIKeyQFPUZEOFHJKMRH-UHFFFAOYSA-N
MW299.54 g/mol
LogP6.43
Rot. Bonds16

About N,N-diethylpentadecan-1-amine oxide

N,N-diethylpentadecan-1-amine oxide (PubChem CID 19001167) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is N,N-diethylpentadecan-1-amine oxide.

Molecular Properties

Compound NameN,N-diethylpentadecan-1-amine oxide
PubChem CID19001167
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC NameN,N-diethylpentadecan-1-amine oxide
SMILESCCCCCCCCCCCCCCC[N+]([O-])(CC)CC
InChIInChI=1S/C19H41NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21,5-2)6-3/h4-19H2,1-3H3
InChIKeyQFPUZEOFHJKMRH-UHFFFAOYSA-N
XLogP6.43
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'-tetrabutyldecane-1,10-diamine oxide
CID 102443929
N,N,N',N'-tetrabutylpentane-1,5-diamine oxide
CID 102443928
N-(2-hydroxyethyl)-N-tetradecyltetradecan-1-amine oxide;dihydrate
CID 87317132
N',N'-bis(2-chloroethyl)-N,N-diethylpentane-1,5-diamine oxide
CID 3063980
N,N,N',N'-tetraethylethane-1,2-diamine oxide
CID 20535654
N,N-bis(2-chloroethyl)pentan-1-amine oxide
CID 24840966
methanolate;tetraoctadecylazanium
CID 118496567
N-heptadecyl-N-hydroxyoctadecan-1-amine oxide
CID 134330711
N,N-dimethyldecan-1-amine oxide;dihydrate
CID 22556484
heptadecyl-tri(tetradecyl)azanium
CID 87809413
pentyl-tri(tridecyl)azanium
CID 87897500
trihexyl(nonyl)azanium
CID 87777679

Frequently Asked Questions

What is the IUPAC name of N,N-diethylpentadecan-1-amine oxide?
The IUPAC name of N,N-diethylpentadecan-1-amine oxide (CID 19001167) is N,N-diethylpentadecan-1-amine oxide.
What is the SMILES notation for N,N-diethylpentadecan-1-amine oxide?
The canonical SMILES for N,N-diethylpentadecan-1-amine oxide is CCCCCCCCCCCCCCC[N+]([O-])(CC)CC.
What is the InChIKey of N,N-diethylpentadecan-1-amine oxide?
The InChIKey is QFPUZEOFHJKMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21,5-2)6-3/h4-19H2,1-3H3.
What are the key properties of N,N-diethylpentadecan-1-amine oxide?
N,N-diethylpentadecan-1-amine oxide has a molecular weight of 299.54 g/mol, XLogP of 6.43, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpentadecan-1-amine oxide is sourced from PubChem (CID 19001167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).