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

C8H17NO — CID 88556514

IUPAC(4S)-4-methyl-3-(methylamino)hexan-2-one
SMILESCC[C@H](C)C(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?/m0/s1
InChIKeyCMHRHBNYVIZYEK-UUEFVBAFSA-N
MW143.23 g/mol
LogP1.21
Rot. Bonds4

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

(4S)-4-methyl-3-(methylamino)hexan-2-one (PubChem CID 88556514) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (4S)-4-methyl-3-(methylamino)hexan-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-3-(methylamino)hexan-2-one
PubChem CID88556514
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(4S)-4-methyl-3-(methylamino)hexan-2-one
SMILESCC[C@H](C)C(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?/m0/s1
InChIKeyCMHRHBNYVIZYEK-UUEFVBAFSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-3-(methylamino)hexan-2-one?
The IUPAC name of (4S)-4-methyl-3-(methylamino)hexan-2-one (CID 88556514) is (4S)-4-methyl-3-(methylamino)hexan-2-one.
What is the SMILES notation for (4S)-4-methyl-3-(methylamino)hexan-2-one?
The canonical SMILES for (4S)-4-methyl-3-(methylamino)hexan-2-one is CC[C@H](C)C(NC)C(C)=O.
What is the InChIKey of (4S)-4-methyl-3-(methylamino)hexan-2-one?
The InChIKey is CMHRHBNYVIZYEK-UUEFVBAFSA-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?/m0/s1.
What are the key properties of (4S)-4-methyl-3-(methylamino)hexan-2-one?
(4S)-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 (4S)-4-methyl-3-(methylamino)hexan-2-one is sourced from PubChem (CID 88556514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).