N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine

C15H33NO2 — CID 135175178

IUPACN-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOCCOCCC(C)C(C)C
InChIInChI=1S/C15H33NO2/c1-13(2)12-16-7-9-18-11-10-17-8-6-15(5)14(3)4/h13-16H,6-12H2,1-5H3
InChIKeyFSRGKGNKWLUVHN-UHFFFAOYSA-N
MW259.43 g/mol
LogP2.95
Rot. Bonds12

About N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine

N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine (PubChem CID 135175178) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine
PubChem CID135175178
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOCCOCCC(C)C(C)C
InChIInChI=1S/C15H33NO2/c1-13(2)12-16-7-9-18-11-10-17-8-6-15(5)14(3)4/h13-16H,6-12H2,1-5H3
InChIKeyFSRGKGNKWLUVHN-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.95
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 N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine (CID 135175178) is N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine is CC(C)CNCCOCCOCCC(C)C(C)C.
What is the InChIKey of N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine?
The InChIKey is FSRGKGNKWLUVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-13(2)12-16-7-9-18-11-10-17-8-6-15(5)14(3)4/h13-16H,6-12H2,1-5H3.
What are the key properties of N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine?
N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine has a molecular weight of 259.43 g/mol, XLogP of 2.95, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethylpentoxy)ethoxy]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 135175178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).