2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol

C10H23NO2 — CID 115638029

IUPAC2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol
SMILESCOCCCCN(C)C(C)(C)CO
InChIInChI=1S/C10H23NO2/c1-10(2,9-12)11(3)7-5-6-8-13-4/h12H,5-9H2,1-4H3
InChIKeyBCRBIJZJKHOIOZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.12
Rot. Bonds7

About 2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol

2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol (PubChem CID 115638029) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol
PubChem CID115638029
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol
SMILESCOCCCCN(C)C(C)(C)CO
InChIInChI=1S/C10H23NO2/c1-10(2,9-12)11(3)7-5-6-8-13-4/h12H,5-9H2,1-4H3
InChIKeyBCRBIJZJKHOIOZ-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-methoxybutyl(methyl)amino]-2-methylpropan-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-[heptyl(methyl)amino]-2-methylpropan-1-ol
CID 115644310
2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 115665583
2-[4-methoxybutyl(methyl)amino]ethanol
CID 115634030
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 115902698
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
2-[2-hydroxyethyl(5-methoxypentyl)amino]ethanol
CID 146845725
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63982714
N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine
CID 21049167
2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115637871
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115638131
2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol
CID 11470310
2-[4-methoxybutyl(propan-2-yl)amino]ethanol
CID 115685977

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol (CID 115638029) is 2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol is COCCCCN(C)C(C)(C)CO.
What is the InChIKey of 2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol?
The InChIKey is BCRBIJZJKHOIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-10(2,9-12)11(3)7-5-6-8-13-4/h12H,5-9H2,1-4H3.
What are the key properties of 2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol?
2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 115638029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).