(3R)-4-methyl-3-(methylamino)hexan-2-one

C8H17NO — CID 59814434

IUPAC(3R)-4-methyl-3-(methylamino)hexan-2-one
SMILESCCC(C)[C@@H](NC)C(C)=O
InChIInChI=1S/C8H17NO/c1-5-6(2)8(9-4)7(3)10/h6,8-9H,5H2,1-4H3/t6?,8-/m1/s1
InChIKeyCMHRHBNYVIZYEK-QFSRMBNQSA-N
MW143.23 g/mol
LogP1.21
Rot. Bonds4

About (3R)-4-methyl-3-(methylamino)hexan-2-one

(3R)-4-methyl-3-(methylamino)hexan-2-one (PubChem CID 59814434) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3R)-4-methyl-3-(methylamino)hexan-2-one.

Molecular Properties

Compound Name(3R)-4-methyl-3-(methylamino)hexan-2-one
PubChem CID59814434
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3R)-4-methyl-3-(methylamino)hexan-2-one
SMILESCCC(C)[C@@H](NC)C(C)=O
InChIInChI=1S/C8H17NO/c1-5-6(2)8(9-4)7(3)10/h6,8-9H,5H2,1-4H3/t6?,8-/m1/s1
InChIKeyCMHRHBNYVIZYEK-QFSRMBNQSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Tert-butylamino)-4-methylpentan-2-one
CID 2060483
4-Methyl-3-(methylamino)pentan-2-one
CID 3268737
3-Methyl-1-(propan-2-ylamino)butan-2-one
CID 11819174
Acetamide, N-(1-acetyl-3-methylbutyl)-
CID 12277623
(3S)-4-cyclohexyl-3-(methylamino)butan-2-one
CID 59960224
(3S)-5-methyl-3-(methylamino)hexan-2-one
CID 59960251
(3S)-6,6,6-trifluoro-3-(methylamino)-5-(trifluoromethyl)hexan-2-one
CID 89230316
6,6,6-Trifluoro-5-methyl-3-(methylamino)hexan-2-one
CID 130440229
(4S)-6,6,6-trifluoro-2-methyl-4-(propan-2-ylamino)hexan-3-one
CID 132027430
Ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one
CID 145087540
Ethane;6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one
CID 145087562
1-Fluoro-4-methyl-3-(methylamino)hexan-2-one
CID 156718899

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-3-(methylamino)hexan-2-one?
The IUPAC name of (3R)-4-methyl-3-(methylamino)hexan-2-one (CID 59814434) is (3R)-4-methyl-3-(methylamino)hexan-2-one.
What is the SMILES notation for (3R)-4-methyl-3-(methylamino)hexan-2-one?
The canonical SMILES for (3R)-4-methyl-3-(methylamino)hexan-2-one is CCC(C)[C@@H](NC)C(C)=O.
What is the InChIKey of (3R)-4-methyl-3-(methylamino)hexan-2-one?
The InChIKey is CMHRHBNYVIZYEK-QFSRMBNQSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6(2)8(9-4)7(3)10/h6,8-9H,5H2,1-4H3/t6?,8-/m1/s1.
What are the key properties of (3R)-4-methyl-3-(methylamino)hexan-2-one?
(3R)-4-methyl-3-(methylamino)hexan-2-one has a molecular weight of 143.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-3-(methylamino)hexan-2-one is sourced from PubChem (CID 59814434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).