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

C10H21NO — CID 63966415

IUPAC1-[methyl(2-methylbutan-2-yl)amino]butan-2-one
SMILESCCC(=O)CN(C)C(C)(C)CC
InChIInChI=1S/C10H21NO/c1-6-9(12)8-11(5)10(3,4)7-2/h6-8H2,1-5H3
InChIKeyCQMJBNKEKHCVFR-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.09
Rot. Bonds5

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

1-[methyl(2-methylbutan-2-yl)amino]butan-2-one (PubChem CID 63966415) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[methyl(2-methylbutan-2-yl)amino]butan-2-one.

Molecular Properties

Compound Name1-[methyl(2-methylbutan-2-yl)amino]butan-2-one
PubChem CID63966415
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[methyl(2-methylbutan-2-yl)amino]butan-2-one
SMILESCCC(=O)CN(C)C(C)(C)CC
InChIInChI=1S/C10H21NO/c1-6-9(12)8-11(5)10(3,4)7-2/h6-8H2,1-5H3
InChIKeyCQMJBNKEKHCVFR-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1,1-difluoropropyl(methyl)amino]butan-2-one
CID 154671416
ethyl 4-[methyl(2-methylbutan-2-yl)amino]-3-oxobutanoate
CID 63966632
N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide
CID 63983300
2-[methyl(2-methylbutan-2-yl)amino]-N-prop-2-ynylacetamide
CID 78963427
1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one
CID 79390253
1-[amino(methyl)amino]butan-2-one
CID 146213557
2-ethyl-4-[methyl(2-methylbutan-2-yl)amino]but-2-enoic acid
CID 77101675
1-[methyl-[2-methyl-1-[methyl(2-methylbutan-2-yl)amino]propan-2-yl]amino]propan-2-ol
CID 165002864
2-[tert-butyl(2-oxobutyl)amino]acetic acid
CID 89002120
1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964423
1-(2,5-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964640
1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63965525

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-methylbutan-2-yl)amino]butan-2-one?
The IUPAC name of 1-[methyl(2-methylbutan-2-yl)amino]butan-2-one (CID 63966415) is 1-[methyl(2-methylbutan-2-yl)amino]butan-2-one.
What is the SMILES notation for 1-[methyl(2-methylbutan-2-yl)amino]butan-2-one?
The canonical SMILES for 1-[methyl(2-methylbutan-2-yl)amino]butan-2-one is CCC(=O)CN(C)C(C)(C)CC.
What is the InChIKey of 1-[methyl(2-methylbutan-2-yl)amino]butan-2-one?
The InChIKey is CQMJBNKEKHCVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-9(12)8-11(5)10(3,4)7-2/h6-8H2,1-5H3.
What are the key properties of 1-[methyl(2-methylbutan-2-yl)amino]butan-2-one?
1-[methyl(2-methylbutan-2-yl)amino]butan-2-one has a molecular weight of 171.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-methylbutan-2-yl)amino]butan-2-one is sourced from PubChem (CID 63966415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).