1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one

C10H21NO2 — CID 62333398

IUPAC1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one
SMILESCC(O)CN(C)CC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-8(12)6-11(5)7-9(13)10(2,3)4/h8,12H,6-7H2,1-5H3
InChIKeyUJQNIAYIPQZAOQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.91
Rot. Bonds4

About 1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one

1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 62333398) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one
PubChem CID62333398
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one
SMILESCC(O)CN(C)CC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-8(12)6-11(5)7-9(13)10(2,3)4/h8,12H,6-7H2,1-5H3
InChIKeyUJQNIAYIPQZAOQ-UHFFFAOYSA-N
XLogP0.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one (CID 62333398) is 1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one is CC(O)CN(C)CC(=O)C(C)(C)C.
What is the InChIKey of 1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is UJQNIAYIPQZAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(12)6-11(5)7-9(13)10(2,3)4/h8,12H,6-7H2,1-5H3.
What are the key properties of 1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one?
1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 187.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 62333398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).