1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one

C10H21NO — CID 79395639

IUPAC1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one
SMILESCCC(C)N(C)CC(=O)C(C)C
InChIInChI=1S/C10H21NO/c1-6-9(4)11(5)7-10(12)8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyGGPUXEIPEVGELG-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds5

About 1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one

1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one (PubChem CID 79395639) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one
PubChem CID79395639
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one
SMILESCCC(C)N(C)CC(=O)C(C)C
InChIInChI=1S/C10H21NO/c1-6-9(4)11(5)7-10(12)8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyGGPUXEIPEVGELG-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one?
The IUPAC name of 1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one (CID 79395639) is 1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one.
What is the SMILES notation for 1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one?
The canonical SMILES for 1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one is CCC(C)N(C)CC(=O)C(C)C.
What is the InChIKey of 1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one?
The InChIKey is GGPUXEIPEVGELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-9(4)11(5)7-10(12)8(2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one?
1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one has a molecular weight of 171.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one is sourced from PubChem (CID 79395639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).