2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine

C17H37NO2 — CID 156868941

IUPAC2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
SMILESCNCCOC(C)(C)CCOC(C)(C)CCCC(C)C
InChIInChI=1S/C17H37NO2/c1-15(2)9-8-10-16(3,4)19-13-11-17(5,6)20-14-12-18-7/h15,18H,8-14H2,1-7H3
InChIKeyWLFAPCIUZHQDOC-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.01
Rot. Bonds12

About 2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine

2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine (PubChem CID 156868941) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
PubChem CID156868941
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
SMILESCNCCOC(C)(C)CCOC(C)(C)CCCC(C)C
InChIInChI=1S/C17H37NO2/c1-15(2)9-8-10-16(3,4)19-13-11-17(5,6)20-14-12-18-7/h15,18H,8-14H2,1-7H3
InChIKeyWLFAPCIUZHQDOC-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine with MolForge

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Related Compounds

N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
CID 155034107
N-methyl-2-(2-methylpentan-2-yloxy)ethanamine
CID 144977046
N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol
CID 165116641
N-[2-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]-5-oxohexanamide
CID 144763173
N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine
CID 144922056
N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol
CID 176553145
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
1-chloro-6-methyl-6-(3-methylbutoxy)heptane
CID 170630353
1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol
CID 146553974
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine?
The IUPAC name of 2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine (CID 156868941) is 2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine.
What is the SMILES notation for 2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine?
The canonical SMILES for 2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine is CNCCOC(C)(C)CCOC(C)(C)CCCC(C)C.
What is the InChIKey of 2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine?
The InChIKey is WLFAPCIUZHQDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-15(2)9-8-10-16(3,4)19-13-11-17(5,6)20-14-12-18-7/h15,18H,8-14H2,1-7H3.
What are the key properties of 2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine?
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine has a molecular weight of 287.49 g/mol, XLogP of 4.01, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine is sourced from PubChem (CID 156868941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).