2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol

C11H25NO2 — CID 103286028

IUPAC2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol
SMILESCCCC(C)COCCC(C)(N)CO
InChIInChI=1S/C11H25NO2/c1-4-5-10(2)8-14-7-6-11(3,12)9-13/h10,13H,4-9,12H2,1-3H3
InChIKeyLNKAITPRLCMBQI-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.54
Rot. Bonds8

About 2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol

2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol (PubChem CID 103286028) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol
PubChem CID103286028
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol
SMILESCCCC(C)COCCC(C)(N)CO
InChIInChI=1S/C11H25NO2/c1-4-5-10(2)8-14-7-6-11(3,12)9-13/h10,13H,4-9,12H2,1-3H3
InChIKeyLNKAITPRLCMBQI-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-3-(2-methylpentoxy)propan-1-ol
CID 103286036
2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol
CID 103286070
2-(2-methylpentoxy)ethanamine
CID 62343431
2-amino-4-(1-ethoxypropan-2-yloxy)-2-methylbutan-1-ol
CID 103491080
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053
2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile
CID 103284783
2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol
CID 102988227
ethyl 2-methyl-4-(2-methylpentoxy)-2-(propan-2-ylamino)butanoate
CID 103284924
2-amino-4-(2-methoxyethoxy)-2-methylbutan-1-ol
CID 64804049
methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate
CID 103284956
2-methyl-2-(methylamino)-5-(2-methylpentoxy)pentanamide
CID 103284845
2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
CID 106714417

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol (CID 103286028) is 2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol is CCCC(C)COCCC(C)(N)CO.
What is the InChIKey of 2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol?
The InChIKey is LNKAITPRLCMBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-5-10(2)8-14-7-6-11(3,12)9-13/h10,13H,4-9,12H2,1-3H3.
What are the key properties of 2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol?
2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol is sourced from PubChem (CID 103286028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).