4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol

C13H27NO2 — CID 114624355

IUPAC4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol
SMILESCNCCC(C)(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H27NO2/c1-11(2)9-10(12(3,4)16-11)13(5,15)7-8-14-6/h10,14-15H,7-9H2,1-6H3
InChIKeySVXOTNLBDVEXGU-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds4

About 4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol

4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol (PubChem CID 114624355) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol
PubChem CID114624355
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol
SMILESCNCCC(C)(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H27NO2/c1-11(2)9-10(12(3,4)16-11)13(5,15)7-8-14-6/h10,14-15H,7-9H2,1-6H3
InChIKeySVXOTNLBDVEXGU-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
CID 114624230
4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
CID 114624231
1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol
CID 114622105
3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622056
1-methoxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol
CID 114622133
methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate
CID 79933585
N-(2-cyclopropylethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927409
2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114624352
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine
CID 114622277
3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol
CID 79927543
2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine
CID 79910449
N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide
CID 115706438

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol?
The IUPAC name of 4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol (CID 114624355) is 4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol.
What is the SMILES notation for 4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol?
The canonical SMILES for 4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol is CNCCC(C)(O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol?
The InChIKey is SVXOTNLBDVEXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)9-10(12(3,4)16-11)13(5,15)7-8-14-6/h10,14-15H,7-9H2,1-6H3.
What are the key properties of 4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol?
4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol is sourced from PubChem (CID 114624355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).