ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one

C13H29NO — CID 144770471

IUPACethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one
SMILESCC.CNCC(C)(C)CC(C)(C)C(C)=O
InChIInChI=1S/C11H23NO.C2H6/c1-9(13)11(4,5)7-10(2,3)8-12-6;1-2/h12H,7-8H2,1-6H3;1-2H3
InChIKeyALMVLCYVFUQSRU-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.26
Rot. Bonds5

About ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one

ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one (PubChem CID 144770471) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one.

Molecular Properties

Compound Nameethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one
PubChem CID144770471
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one
SMILESCC.CNCC(C)(C)CC(C)(C)C(C)=O
InChIInChI=1S/C11H23NO.C2H6/c1-9(13)11(4,5)7-10(2,3)8-12-6;1-2/h12H,7-8H2,1-6H3;1-2H3
InChIKeyALMVLCYVFUQSRU-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,5,5-tetramethyloctane-2,7-dione
CID 88565088
3,3,5,5-tetramethyl-N-[2-methyl-2-(methylamino)propyl]-6-oxoheptanamide
CID 155031045
5-acetyl-3,3,5,7,7-pentamethylnonane-2,8-dione
CID 58195604
(5R)-3,3,5-trimethyl-5-(methylamino)heptan-2-one
CID 118120014
2,2-dimethyl-3-(methylamino)propanoic acid
CID 21458635
CID 89169908
CID 89169908
5,5-dimethyl-6-(methylamino)hexane-2,4-dione
CID 59862122
2,2,4,4-tetramethyl-5-(methylamino)pentanal
CID 143414769
N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide
CID 89136777
N-methyl-N-[2,2,4,4-tetramethyl-5-(methylamino)pentyl]hydroxylamine
CID 171565209
N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide
CID 177178703
3,3,5-trimethyl-5-(propan-2-ylamino)hexan-2-one
CID 164974261

Frequently Asked Questions

What is the IUPAC name of ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one?
The IUPAC name of ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one (CID 144770471) is ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one.
What is the SMILES notation for ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one?
The canonical SMILES for ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one is CC.CNCC(C)(C)CC(C)(C)C(C)=O.
What is the InChIKey of ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one?
The InChIKey is ALMVLCYVFUQSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6/c1-9(13)11(4,5)7-10(2,3)8-12-6;1-2/h12H,7-8H2,1-6H3;1-2H3.
What are the key properties of ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one?
ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one has a molecular weight of 215.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one is sourced from PubChem (CID 144770471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).