methyl hydrogen sulfate;N-methyltetradecan-1-amine

C16H37NO4S — CID 173229192

IUPACmethyl hydrogen sulfate;N-methyltetradecan-1-amine
SMILESCCCCCCCCCCCCCCNC.COS(=O)(=O)O
InChIInChI=1S/C15H33N.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2;1-5-6(2,3)4/h16H,3-15H2,1-2H3;1H3,(H,2,3,4)
InChIKeyZKPHDUZICNTCLB-UHFFFAOYSA-N
MW339.54 g/mol
LogP4.34
Rot. Bonds14

About methyl hydrogen sulfate;N-methyltetradecan-1-amine

methyl hydrogen sulfate;N-methyltetradecan-1-amine (PubChem CID 173229192) has the molecular formula C16H37NO4S and a molecular weight of 339.54 g/mol. Its IUPAC name is methyl hydrogen sulfate;N-methyltetradecan-1-amine.

Molecular Properties

Compound Namemethyl hydrogen sulfate;N-methyltetradecan-1-amine
PubChem CID173229192
Molecular FormulaC16H37NO4S
Molecular Weight339.54 g/mol
Exact Mass339.24
IUPAC Namemethyl hydrogen sulfate;N-methyltetradecan-1-amine
SMILESCCCCCCCCCCCCCCNC.COS(=O)(=O)O
InChIInChI=1S/C15H33N.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2;1-5-6(2,3)4/h16H,3-15H2,1-2H3;1H3,(H,2,3,4)
InChIKeyZKPHDUZICNTCLB-UHFFFAOYSA-N
XLogP4.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]octadecanamide;methyl hydrogen sulfate
CID 174942610
N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine
CID 174472980
N-methyltriacontan-1-amine
CID 19840895
hydroxylamine;N-methyloctan-1-amine
CID 144676839
methyl hydrogen sulfate;octadecan-1-amine
CID 173395931
N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
2-(methylamino)ethanol;methyl hydrogen sulfate
CID 86001680
dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
CID 19904990
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
N-methyloctan-1-amine;propan-1-ol
CID 88540071
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
methyl hydrogen sulfate;pentan-1-amine
CID 173267345

Frequently Asked Questions

What is the IUPAC name of methyl hydrogen sulfate;N-methyltetradecan-1-amine?
The IUPAC name of methyl hydrogen sulfate;N-methyltetradecan-1-amine (CID 173229192) is methyl hydrogen sulfate;N-methyltetradecan-1-amine.
What is the SMILES notation for methyl hydrogen sulfate;N-methyltetradecan-1-amine?
The canonical SMILES for methyl hydrogen sulfate;N-methyltetradecan-1-amine is CCCCCCCCCCCCCCNC.COS(=O)(=O)O.
What is the InChIKey of methyl hydrogen sulfate;N-methyltetradecan-1-amine?
The InChIKey is ZKPHDUZICNTCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2;1-5-6(2,3)4/h16H,3-15H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of methyl hydrogen sulfate;N-methyltetradecan-1-amine?
methyl hydrogen sulfate;N-methyltetradecan-1-amine has a molecular weight of 339.54 g/mol, XLogP of 4.34, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen sulfate;N-methyltetradecan-1-amine is sourced from PubChem (CID 173229192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).