2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol

C8H19NO2 — CID 23168038

IUPAC2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)C(CO)NCCO
InChIInChI=1S/C8H19NO2/c1-8(2,3)7(6-11)9-4-5-10/h7,9-11H,4-6H2,1-3H3
InChIKeyOSKNTTVLTZLXJC-UHFFFAOYSA-N
MW161.24 g/mol
LogP-0.02
Rot. Bonds4

About 2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol

2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol (PubChem CID 23168038) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol
PubChem CID23168038
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)C(CO)NCCO
InChIInChI=1S/C8H19NO2/c1-8(2,3)7(6-11)9-4-5-10/h7,9-11H,4-6H2,1-3H3
InChIKeyOSKNTTVLTZLXJC-UHFFFAOYSA-N
XLogP-0.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol (CID 23168038) is 2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol is CC(C)(C)C(CO)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is OSKNTTVLTZLXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-8(2,3)7(6-11)9-4-5-10/h7,9-11H,4-6H2,1-3H3.
What are the key properties of 2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol?
2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 161.24 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 23168038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).