2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol

C12H27NO2 — CID 81419125

IUPAC2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol
SMILESCCCCOCCNCC(C)(CC)CO
InChIInChI=1S/C12H27NO2/c1-4-6-8-15-9-7-13-10-12(3,5-2)11-14/h13-14H,4-11H2,1-3H3
InChIKeyUURZZIXCSCUWLP-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds10

About 2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol

2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol (PubChem CID 81419125) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol
PubChem CID81419125
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol
SMILESCCCCOCCNCC(C)(CC)CO
InChIInChI=1S/C12H27NO2/c1-4-6-8-15-9-7-13-10-12(3,5-2)11-14/h13-14H,4-11H2,1-3H3
InChIKeyUURZZIXCSCUWLP-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-butoxyethylamino)methyl]-2-methylbutan-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol (CID 81419125) is 2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol is CCCCOCCNCC(C)(CC)CO.
What is the InChIKey of 2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol?
The InChIKey is UURZZIXCSCUWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-6-8-15-9-7-13-10-12(3,5-2)11-14/h13-14H,4-11H2,1-3H3.
What are the key properties of 2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol?
2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butoxyethylamino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81419125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).