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

C8H17NO2 — CID 57218743

IUPAC1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CNCCO
InChIInChI=1S/C8H17NO2/c1-8(2,3)7(11)6-9-4-5-10/h9-10H,4-6H2,1-3H3
InChIKeyHMFZFJLJUKICQR-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.18
Rot. Bonds4

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

1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one (PubChem CID 57218743) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one
PubChem CID57218743
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CNCCO
InChIInChI=1S/C8H17NO2/c1-8(2,3)7(11)6-9-4-5-10/h9-10H,4-6H2,1-3H3
InChIKeyHMFZFJLJUKICQR-UHFFFAOYSA-N
XLogP0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one (CID 57218743) is 1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CNCCO.
What is the InChIKey of 1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one?
The InChIKey is HMFZFJLJUKICQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)7(11)6-9-4-5-10/h9-10H,4-6H2,1-3H3.
What are the key properties of 1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one?
1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 57218743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).