N-butyl-N-methylhydroxylamine;tetradecan-1-amine

C19H44N2O — CID 175891221

IUPACN-butyl-N-methylhydroxylamine;tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN.CCCCN(C)O
InChIInChI=1S/C14H31N.C5H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-3-4-5-6(2)7/h2-15H2,1H3;7H,3-5H2,1-2H3
InChIKeyNLXWLPHKDMYAPB-UHFFFAOYSA-N
MW316.57 g/mol
LogP5.75
Rot. Bonds15

About N-butyl-N-methylhydroxylamine;tetradecan-1-amine

N-butyl-N-methylhydroxylamine;tetradecan-1-amine (PubChem CID 175891221) has the molecular formula C19H44N2O and a molecular weight of 316.57 g/mol. Its IUPAC name is N-butyl-N-methylhydroxylamine;tetradecan-1-amine.

Molecular Properties

Compound NameN-butyl-N-methylhydroxylamine;tetradecan-1-amine
PubChem CID175891221
Molecular FormulaC19H44N2O
Molecular Weight316.57 g/mol
Exact Mass316.35
IUPAC NameN-butyl-N-methylhydroxylamine;tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN.CCCCN(C)O
InChIInChI=1S/C14H31N.C5H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-3-4-5-6(2)7/h2-15H2,1H3;7H,3-5H2,1-2H3
InChIKeyNLXWLPHKDMYAPB-UHFFFAOYSA-N
XLogP5.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.57
LogP ≤ 55.75
H-Bond Donors ≤ 52
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'}

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Related Compounds

N,N-dimethylmethanamine;tetradecan-1-amine
CID 172778016
N,N-dimethylmethanamine;heptan-1-amine
CID 172839384
N-methyl-N-nonadecylhydroxylamine
CID 87390757
N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide
CID 174345360
dodecan-1-amine;hydroxylamine
CID 175960605
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
decane;decane-1,10-diamine;methanediamine
CID 158649191
tetracosan-1-amine;hydrobromide
CID 175600580

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylhydroxylamine;tetradecan-1-amine?
The IUPAC name of N-butyl-N-methylhydroxylamine;tetradecan-1-amine (CID 175891221) is N-butyl-N-methylhydroxylamine;tetradecan-1-amine.
What is the SMILES notation for N-butyl-N-methylhydroxylamine;tetradecan-1-amine?
The canonical SMILES for N-butyl-N-methylhydroxylamine;tetradecan-1-amine is CCCCCCCCCCCCCCN.CCCCN(C)O.
What is the InChIKey of N-butyl-N-methylhydroxylamine;tetradecan-1-amine?
The InChIKey is NLXWLPHKDMYAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.C5H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-3-4-5-6(2)7/h2-15H2,1H3;7H,3-5H2,1-2H3.
What are the key properties of N-butyl-N-methylhydroxylamine;tetradecan-1-amine?
N-butyl-N-methylhydroxylamine;tetradecan-1-amine has a molecular weight of 316.57 g/mol, XLogP of 5.75, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylhydroxylamine;tetradecan-1-amine is sourced from PubChem (CID 175891221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).