1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol

C11H25NO3 — CID 81093278

IUPAC1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol
SMILESCCOC(CNCC(C)(O)CC)OCC
InChIInChI=1S/C11H25NO3/c1-5-11(4,13)9-12-8-10(14-6-2)15-7-3/h10,12-13H,5-9H2,1-4H3
InChIKeyQVTWZLBZPGTUFG-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.14
Rot. Bonds9

About 1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol

1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol (PubChem CID 81093278) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol
PubChem CID81093278
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol
SMILESCCOC(CNCC(C)(O)CC)OCC
InChIInChI=1S/C11H25NO3/c1-5-11(4,13)9-12-8-10(14-6-2)15-7-3/h10,12-13H,5-9H2,1-4H3
InChIKeyQVTWZLBZPGTUFG-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol
CID 106292529
1-(2,2-dimethoxyethylamino)-2-methylbutan-2-ol
CID 65107941
3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 65111531
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 114493226
3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol
CID 65108452
N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine
CID 78914464
4-(2,2-diethoxyethylamino)butan-1-ol
CID 106841702
1-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylbutan-2-ol
CID 65106826
N-(2,2-diethoxyethyl)-2-methoxypropan-1-amine
CID 102697934
methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate
CID 65106276
3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoic acid
CID 65106380
3-(2,2-diethoxyethylamino)-2-hydroxypropanamide
CID 106174370

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol (CID 81093278) is 1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol is CCOC(CNCC(C)(O)CC)OCC.
What is the InChIKey of 1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol?
The InChIKey is QVTWZLBZPGTUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-5-11(4,13)9-12-8-10(14-6-2)15-7-3/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol?
1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol has a molecular weight of 219.32 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 81093278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).