3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol

C13H29NO2 — CID 23556458

IUPAC3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol
SMILESCN(C(C)(C)C(C)(C)O)C(C)(C)C(C)(C)O
InChIInChI=1S/C13H29NO2/c1-10(2,12(5,6)15)14(9)11(3,4)13(7,8)16/h15-16H,1-9H3
InChIKeyFLVZZXDWTFTZRQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.02
Rot. Bonds4

About 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol

3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 23556458) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol
PubChem CID23556458
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol
SMILESCN(C(C)(C)C(C)(C)O)C(C)(C)C(C)(C)O
InChIInChI=1S/C13H29NO2/c1-10(2,12(5,6)15)14(9)11(3,4)13(7,8)16/h15-16H,1-9H3
InChIKeyFLVZZXDWTFTZRQ-UHFFFAOYSA-N
XLogP2.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol (CID 23556458) is 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol is CN(C(C)(C)C(C)(C)O)C(C)(C)C(C)(C)O.
What is the InChIKey of 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is FLVZZXDWTFTZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-10(2,12(5,6)15)14(9)11(3,4)13(7,8)16/h15-16H,1-9H3.
What are the key properties of 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol?
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 231.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)-methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 23556458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).