N-ethoxy-N-ethyl-2-methylheptadecan-2-amine

C22H47NO — CID 174442183

IUPACN-ethoxy-N-ethyl-2-methylheptadecan-2-amine
SMILESCCCCCCCCCCCCCCCC(C)(C)N(CC)OCC
InChIInChI=1S/C22H47NO/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22(4,5)23(7-2)24-8-3/h6-21H2,1-5H3
InChIKeyGUSGETRXMILEMT-UHFFFAOYSA-N
MW341.62 g/mol
LogP7.52
Rot. Bonds18

About N-ethoxy-N-ethyl-2-methylheptadecan-2-amine

N-ethoxy-N-ethyl-2-methylheptadecan-2-amine (PubChem CID 174442183) has the molecular formula C22H47NO and a molecular weight of 341.62 g/mol. Its IUPAC name is N-ethoxy-N-ethyl-2-methylheptadecan-2-amine.

Molecular Properties

Compound NameN-ethoxy-N-ethyl-2-methylheptadecan-2-amine
PubChem CID174442183
Molecular FormulaC22H47NO
Molecular Weight341.62 g/mol
Exact Mass341.37
IUPAC NameN-ethoxy-N-ethyl-2-methylheptadecan-2-amine
SMILESCCCCCCCCCCCCCCCC(C)(C)N(CC)OCC
InChIInChI=1S/C22H47NO/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22(4,5)23(7-2)24-8-3/h6-21H2,1-5H3
InChIKeyGUSGETRXMILEMT-UHFFFAOYSA-N
XLogP7.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[ethyl(2-methylheptan-2-yl)amino] hypoiodite
CID 156748473
N-ethyl-2-methyl-N-(2-methyloctan-2-yl)octan-2-amine
CID 139724053
N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine
CID 139723254
N-ethyl-2-methyl-N-phenoxytridecan-2-amine
CID 88748114
N-(1-adamantyloxy)-N-ethyl-2-methylpentadecan-2-amine;hydrobromide
CID 173445402
N,N,2-trimethyltridecan-2-amine;hydrochloride
CID 175023190
N-hexyl-2-methyl-N-(2-methylheptadecan-2-yl)heptadecan-2-amine
CID 139723065
2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
CID 139723690
N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine
CID 139723897
2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine
CID 139723201
2-methyl-N,N-dioctyloctan-2-amine
CID 139723132
N-hexadecyl-N-(2-methyldodecan-2-yl)hexadecan-1-amine
CID 139722634

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-ethyl-2-methylheptadecan-2-amine?
The IUPAC name of N-ethoxy-N-ethyl-2-methylheptadecan-2-amine (CID 174442183) is N-ethoxy-N-ethyl-2-methylheptadecan-2-amine.
What is the SMILES notation for N-ethoxy-N-ethyl-2-methylheptadecan-2-amine?
The canonical SMILES for N-ethoxy-N-ethyl-2-methylheptadecan-2-amine is CCCCCCCCCCCCCCCC(C)(C)N(CC)OCC.
What is the InChIKey of N-ethoxy-N-ethyl-2-methylheptadecan-2-amine?
The InChIKey is GUSGETRXMILEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22(4,5)23(7-2)24-8-3/h6-21H2,1-5H3.
What are the key properties of N-ethoxy-N-ethyl-2-methylheptadecan-2-amine?
N-ethoxy-N-ethyl-2-methylheptadecan-2-amine has a molecular weight of 341.62 g/mol, XLogP of 7.52, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-ethyl-2-methylheptadecan-2-amine is sourced from PubChem (CID 174442183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).