1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one

C10H21NO3 — CID 62052421

IUPAC1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN(CCO)CCO
InChIInChI=1S/C10H21NO3/c1-10(2,3)9(14)8-11(4-6-12)5-7-13/h12-13H,4-8H2,1-3H3
InChIKeyBUUMRKZMMVGKRE-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.11
Rot. Bonds6

About 1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one

1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 62052421) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one
PubChem CID62052421
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN(CCO)CCO
InChIInChI=1S/C10H21NO3/c1-10(2,3)9(14)8-11(4-6-12)5-7-13/h12-13H,4-8H2,1-3H3
InChIKeyBUUMRKZMMVGKRE-UHFFFAOYSA-N
XLogP-0.11
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one (CID 62052421) is 1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CN(CCO)CCO.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is BUUMRKZMMVGKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-10(2,3)9(14)8-11(4-6-12)5-7-13/h12-13H,4-8H2,1-3H3.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one?
1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 203.28 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 62052421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).