2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine

C13H29NO — CID 138567524

IUPAC2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine
SMILESCCCCC(CC(C)(C)C)OCCNC
InChIInChI=1S/C13H29NO/c1-6-7-8-12(11-13(2,3)4)15-10-9-14-5/h12,14H,6-11H2,1-5H3
InChIKeyYWZNSHCYCPXXKN-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds8

About 2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine

2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine (PubChem CID 138567524) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine
PubChem CID138567524
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine
SMILESCCCCC(CC(C)(C)C)OCCNC
InChIInChI=1S/C13H29NO/c1-6-7-8-12(11-13(2,3)4)15-10-9-14-5/h12,14H,6-11H2,1-5H3
InChIKeyYWZNSHCYCPXXKN-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine
CID 138567523
1,2-dibutoxyhexane
CID 19805858
2,2-dimethyltridecan-4-yloxysilane
CID 175226380
3-propoxyheptane
CID 91289422
3-(2,2-dimethylpropoxy)heptane
CID 91257292
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
(4Z)-4-ethyl-5-methyl-3-[2-[2-(methylamino)ethoxy]hexylimino]hepta-4,6-dien-2-one
CID 170243907
4,5-bis(methoxymethyl)-2,2-dimethylnonane
CID 142709822
hexatriacontan-18-yl formate;2-[2-(methylamino)ethoxy]-4-[(2-methylpropan-2-yl)oxy]butane-2-thiol
CID 144696163
5-ethoxynonane
CID 91187482
2,2,4,5-tetramethylnonane
CID 57490937
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine?
The IUPAC name of 2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine (CID 138567524) is 2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine.
What is the SMILES notation for 2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine?
The canonical SMILES for 2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine is CCCCC(CC(C)(C)C)OCCNC.
What is the InChIKey of 2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine?
The InChIKey is YWZNSHCYCPXXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-7-8-12(11-13(2,3)4)15-10-9-14-5/h12,14H,6-11H2,1-5H3.
What are the key properties of 2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine?
2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine is sourced from PubChem (CID 138567524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).