2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol

C11H25NO3 — CID 64803423

IUPAC2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol
SMILESCNC(C)(CO)CCOCCOC(C)C
InChIInChI=1S/C11H25NO3/c1-10(2)15-8-7-14-6-5-11(3,9-13)12-4/h10,12-13H,5-9H2,1-4H3
InChIKeyGMELMCOFEPBOSD-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.79
Rot. Bonds9

About 2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol

2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol (PubChem CID 64803423) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol
PubChem CID64803423
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol
SMILESCNC(C)(CO)CCOCCOC(C)C
InChIInChI=1S/C11H25NO3/c1-10(2)15-8-7-14-6-5-11(3,9-13)12-4/h10,12-13H,5-9H2,1-4H3
InChIKeyGMELMCOFEPBOSD-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
CID 64805299
2-(ethylamino)-2-methyl-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 64805300
2-methyl-2-(methylamino)-4-octoxybutan-1-ol
CID 64811849
2-(ethylamino)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 64803827
2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695488
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(methylamino)pentan-1-ol
CID 104567691
2-methyl-2-(methylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81065082
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
2-methyl-2-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66275331
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
3-(2-methoxyethoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64803416
2-[4-hydroxy-3-methyl-3-(methylamino)butoxy]-2,3-dimethyl-4-(methylamino)butan-1-ol
CID 90766282

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol (CID 64803423) is 2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol is CNC(C)(CO)CCOCCOC(C)C.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol?
The InChIKey is GMELMCOFEPBOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-10(2)15-8-7-14-6-5-11(3,9-13)12-4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol?
2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol has a molecular weight of 219.32 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol is sourced from PubChem (CID 64803423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).