2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine

C15H33NO2 — CID 166733086

IUPAC2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine
SMILESCCC(C)CCCOCCOCCNCC(C)C
InChIInChI=1S/C15H33NO2/c1-5-15(4)7-6-9-17-11-12-18-10-8-16-13-14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyNPRILKRZBBVDLG-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.09
Rot. Bonds13

About 2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine

2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine (PubChem CID 166733086) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine
PubChem CID166733086
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine
SMILESCCC(C)CCCOCCOCCNCC(C)C
InChIInChI=1S/C15H33NO2/c1-5-15(4)7-6-9-17-11-12-18-10-8-16-13-14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyNPRILKRZBBVDLG-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine (CID 166733086) is 2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine is CCC(C)CCCOCCOCCNCC(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine?
The InChIKey is NPRILKRZBBVDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-5-15(4)7-6-9-17-11-12-18-10-8-16-13-14(2)3/h14-16H,5-13H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine?
2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine has a molecular weight of 259.43 g/mol, XLogP of 3.09, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 166733086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).