4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one

C11H23NO — CID 66453152

IUPAC4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one
SMILESCCCCN(C)CC(C)(C)C(C)=O
InChIInChI=1S/C11H23NO/c1-6-7-8-12(5)9-11(3,4)10(2)13/h6-9H2,1-5H3
InChIKeySVCBYERQNSMDIE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds6

About 4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one

4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 66453152) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one
PubChem CID66453152
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one
SMILESCCCCN(C)CC(C)(C)C(C)=O
InChIInChI=1S/C11H23NO/c1-6-7-8-12(5)9-11(3,4)10(2)13/h6-9H2,1-5H3
InChIKeySVCBYERQNSMDIE-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 66453162
1-[butyl(methyl)amino]propan-2-one
CID 43219631
3,3-dimethyl-4-[methyl(pentyl)amino]butanoic acid
CID 115220447
2-[[butyl(methyl)amino]methyl]-2-methylbutan-1-ol
CID 62271452
3,3-dimethyl-4-[propan-2-yl(propyl)amino]butan-2-one
CID 66452724
4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 58066360
3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 63008833
N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62263205
2-[butyl(methyl)amino]acetyl chloride
CID 39248237
2-[butyl(methyl)amino]acetamide
CID 22371777
4-[methyl(pentyl)amino]butan-2-one
CID 23332894

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one (CID 66453152) is 4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one is CCCCN(C)CC(C)(C)C(C)=O.
What is the InChIKey of 4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is SVCBYERQNSMDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-7-8-12(5)9-11(3,4)10(2)13/h6-9H2,1-5H3.
What are the key properties of 4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one?
4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 185.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 66453152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).