2,7-dimethyl-1-(methylamino)octan-3-one

C11H23NO — CID 116586892

IUPAC2,7-dimethyl-1-(methylamino)octan-3-one
SMILESCNCC(C)C(=O)CCCC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)6-5-7-11(13)10(3)8-12-4/h9-10,12H,5-8H2,1-4H3
InChIKeyMGZUSVACZWENIQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.24
Rot. Bonds7

About 2,7-dimethyl-1-(methylamino)octan-3-one

2,7-dimethyl-1-(methylamino)octan-3-one (PubChem CID 116586892) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,7-dimethyl-1-(methylamino)octan-3-one.

Molecular Properties

Compound Name2,7-dimethyl-1-(methylamino)octan-3-one
PubChem CID116586892
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2,7-dimethyl-1-(methylamino)octan-3-one
SMILESCNCC(C)C(=O)CCCC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)6-5-7-11(13)10(3)8-12-4/h9-10,12H,5-8H2,1-4H3
InChIKeyMGZUSVACZWENIQ-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3,8-dimethylnonan-4-one
CID 116594924
2,6-dimethylheptane;2,7-dimethyloctan-3-one
CID 161345057
2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide
CID 79195498
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
8-methyl-1-(methylamino)nonan-4-one
CID 116555639
2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride
CID 119672602
3-(aminomethyl)-2,8-dimethylnonan-4-one
CID 116573959
amino 5-methylhexanoate
CID 18970778
N',5-dimethylhexanehydrazide
CID 116846298
2,16-dimethylheptadecan-6-one
CID 158111781
6-methyl-2-oxoheptanoate
CID 152759081
sodium 5-methylhexanoate
CID 58914873

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1-(methylamino)octan-3-one?
The IUPAC name of 2,7-dimethyl-1-(methylamino)octan-3-one (CID 116586892) is 2,7-dimethyl-1-(methylamino)octan-3-one.
What is the SMILES notation for 2,7-dimethyl-1-(methylamino)octan-3-one?
The canonical SMILES for 2,7-dimethyl-1-(methylamino)octan-3-one is CNCC(C)C(=O)CCCC(C)C.
What is the InChIKey of 2,7-dimethyl-1-(methylamino)octan-3-one?
The InChIKey is MGZUSVACZWENIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)6-5-7-11(13)10(3)8-12-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2,7-dimethyl-1-(methylamino)octan-3-one?
2,7-dimethyl-1-(methylamino)octan-3-one has a molecular weight of 185.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1-(methylamino)octan-3-one is sourced from PubChem (CID 116586892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).