2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol

C12H27NO4 — CID 103407415

IUPAC2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol
SMILESCOCCOCCCOCCCC(C)(N)CO
InChIInChI=1S/C12H27NO4/c1-12(13,11-14)5-3-6-16-7-4-8-17-10-9-15-2/h14H,3-11,13H2,1-2H3
InChIKeyOCCWRYSWGJUCES-UHFFFAOYSA-N
MW249.35 g/mol
LogP0.55
Rot. Bonds12

About 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol

2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol (PubChem CID 103407415) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol
PubChem CID103407415
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol
SMILESCOCCOCCCOCCCC(C)(N)CO
InChIInChI=1S/C12H27NO4/c1-12(13,11-14)5-3-6-16-7-4-8-17-10-9-15-2/h14H,3-11,13H2,1-2H3
InChIKeyOCCWRYSWGJUCES-UHFFFAOYSA-N
XLogP0.55
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(2-methoxyethoxy)-2-methylbutan-1-ol
CID 64804049
2-amino-5-butoxy-2-methylpentan-1-ol
CID 64807302
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropan-1-ol
CID 113427544
2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile
CID 103404479
2-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-ol
CID 103415225
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(methylamino)pentan-1-ol
CID 104567691
3-(2-methoxyethoxy)propyl 2-amino-2-methylpropanoate
CID 103403303
1-amino-5-(2-methoxyethoxy)-2-methylpentan-2-ol
CID 64812317
2-cyclopropyl-5-(2-methoxyethoxy)-2-methylpentan-1-ol
CID 103415301
3-ethyl-6-(2-methoxyethoxy)hexan-3-amine
CID 103414969
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
2-amino-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylhexanamide
CID 104565103

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol?
The IUPAC name of 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol (CID 103407415) is 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol is COCCOCCCOCCCC(C)(N)CO.
What is the InChIKey of 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol?
The InChIKey is OCCWRYSWGJUCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4/c1-12(13,11-14)5-3-6-16-7-4-8-17-10-9-15-2/h14H,3-11,13H2,1-2H3.
What are the key properties of 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol?
2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 0.55, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol is sourced from PubChem (CID 103407415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).