N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide

C19H42N2O — CID 175550405

IUPACN-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide
SMILESCCCCCCCCCCCCCCNC[N+](C)([O-])CCC
InChIInChI=1S/C19H42N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-19-21(3,22)18-5-2/h20H,4-19H2,1-3H3
InChIKeyZGUGZYPIXVQJFA-UHFFFAOYSA-N
MW314.56 g/mol
LogP5.59
Rot. Bonds17

About N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide

N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide (PubChem CID 175550405) has the molecular formula C19H42N2O and a molecular weight of 314.56 g/mol. Its IUPAC name is N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide.

Molecular Properties

Compound NameN-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide
PubChem CID175550405
Molecular FormulaC19H42N2O
Molecular Weight314.56 g/mol
Exact Mass314.33
IUPAC NameN-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide
SMILESCCCCCCCCCCCCCCNC[N+](C)([O-])CCC
InChIInChI=1S/C19H42N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-19-21(3,22)18-5-2/h20H,4-19H2,1-3H3
InChIKeyZGUGZYPIXVQJFA-UHFFFAOYSA-N
XLogP5.59
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

decyl-[[4-[decyl(dimethyl)azaniumyl]butylamino]methyl]-dimethylazanium
CID 175685948
hexadecyl-[[4-[hexadecyl(dimethyl)azaniumyl]butylamino]methyl]-dimethylazanium
CID 175685485
dimethyl-[3-(octadecylamino)propyl]-tetradecylazanium
CID 141224619
3-(hexadecylamino)propyl-dimethyl-tetradecylazanium
CID 175110689
3-(dodecylamino)propyl-trimethylazanium chloride
CID 166791709
dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium
CID 102401794
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;sulfane
CID 173223078
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide?
The IUPAC name of N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide (CID 175550405) is N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide.
What is the SMILES notation for N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide?
The canonical SMILES for N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide is CCCCCCCCCCCCCCNC[N+](C)([O-])CCC.
What is the InChIKey of N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide?
The InChIKey is ZGUGZYPIXVQJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-19-21(3,22)18-5-2/h20H,4-19H2,1-3H3.
What are the key properties of N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide?
N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide has a molecular weight of 314.56 g/mol, XLogP of 5.59, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(tetradecylamino)methyl]propan-1-amine oxide is sourced from PubChem (CID 175550405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).