3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one

C14H29NO2 — CID 142391928

IUPAC3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one
SMILESCCC(C)(CCOC(C)(C)CCNC)C(C)=O
InChIInChI=1S/C14H29NO2/c1-7-14(5,12(2)16)9-11-17-13(3,4)8-10-15-6/h15H,7-11H2,1-6H3
InChIKeyHEICMWWGPNNSPL-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.79
Rot. Bonds9

About 3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one

3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one (PubChem CID 142391928) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one.

Molecular Properties

Compound Name3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one
PubChem CID142391928
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one
SMILESCCC(C)(CCOC(C)(C)CCNC)C(C)=O
InChIInChI=1S/C14H29NO2/c1-7-14(5,12(2)16)9-11-17-13(3,4)8-10-15-6/h15H,7-11H2,1-6H3
InChIKeyHEICMWWGPNNSPL-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
CID 129027495
4-[3-methyl-3-[2-[2-methyl-4-(methylamino)butan-2-yl]oxyethoxy]butoxy]butan-2-one
CID 88565171
N-[2-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]-5-oxohexanamide
CID 144763173
3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal
CID 145317497
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
N-methyl-2-(2-methylpentan-2-yloxy)ethanamine
CID 144977046
N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
CID 142467765
4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid
CID 87061140
N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
CID 155034107
N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine
CID 144922056
2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyethylcarbamic acid
CID 123941511
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one?
The IUPAC name of 3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one (CID 142391928) is 3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one.
What is the SMILES notation for 3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one?
The canonical SMILES for 3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one is CCC(C)(CCOC(C)(C)CCNC)C(C)=O.
What is the InChIKey of 3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one?
The InChIKey is HEICMWWGPNNSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-7-14(5,12(2)16)9-11-17-13(3,4)8-10-15-6/h15H,7-11H2,1-6H3.
What are the key properties of 3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one?
3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one has a molecular weight of 243.39 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one is sourced from PubChem (CID 142391928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).