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

C8H19NO2 — CID 89217078

IUPAC1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)C(O)NCCO
InChIInChI=1S/C8H19NO2/c1-4-8(2,3)7(11)9-5-6-10/h7,9-11H,4-6H2,1-3H3
InChIKeySLRFAFMSXAKSCT-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.32
Rot. Bonds5

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

1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol (PubChem CID 89217078) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol
PubChem CID89217078
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)C(O)NCCO
InChIInChI=1S/C8H19NO2/c1-4-8(2,3)7(11)9-5-6-10/h7,9-11H,4-6H2,1-3H3
InChIKeySLRFAFMSXAKSCT-UHFFFAOYSA-N
XLogP0.32
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol?
The IUPAC name of 1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol (CID 89217078) is 1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol?
The canonical SMILES for 1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol is CCC(C)(C)C(O)NCCO.
What is the InChIKey of 1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol?
The InChIKey is SLRFAFMSXAKSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-8(2,3)7(11)9-5-6-10/h7,9-11H,4-6H2,1-3H3.
What are the key properties of 1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol?
1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol has a molecular weight of 161.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 89217078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).