2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine

C22H51N2O+ — CID 146290768

IUPAC2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNC.C[N+](C)(C)CCO
InChIInChI=1S/C17H37N.C5H14NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2;1-6(2,3)4-5-7/h18H,3-17H2,1-2H3;7H,4-5H2,1-3H3/q;+1
InChIKeyCYPPTTHNCLWFQI-UHFFFAOYSA-N
MW359.66 g/mol
LogP5.37
Rot. Bonds17

About 2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine

2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine (PubChem CID 146290768) has the molecular formula C22H51N2O+ and a molecular weight of 359.66 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine
PubChem CID146290768
Molecular FormulaC22H51N2O+
Molecular Weight359.66 g/mol
Exact Mass359.40
IUPAC Name2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNC.C[N+](C)(C)CCO
InChIInChI=1S/C17H37N.C5H14NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2;1-6(2,3)4-5-7/h18H,3-17H2,1-2H3;7H,4-5H2,1-3H3/q;+1
InChIKeyCYPPTTHNCLWFQI-UHFFFAOYSA-N
XLogP5.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.66
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyloctan-1-amine;propan-1-ol
CID 88540071
hydroxylamine;N-methyloctan-1-amine
CID 144676839
hexadecyl(trimethyl)azanium;2-hydroxyethyl(trimethyl)azanium;hydrate
CID 173222030
2-hydroxyethyl(trimethyl)azanium;triacontan-1-ol;chloride
CID 175430190
N-methyltriacontan-1-amine
CID 19840895
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
CID 19904990
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
2-hydroxyethyl(trimethyl)azanium;octanoic acid;chloride
CID 175564628
N'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine (CID 146290768) is 2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine is CCCCCCCCCCCCCCCCNC.C[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine?
The InChIKey is CYPPTTHNCLWFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N.C5H14NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2;1-6(2,3)4-5-7/h18H,3-17H2,1-2H3;7H,4-5H2,1-3H3/q;+1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine?
2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine has a molecular weight of 359.66 g/mol, XLogP of 5.37, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine is sourced from PubChem (CID 146290768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).