3-methyl-5-(methylamino)hexan-2-one

C8H17NO — CID 20697248

IUPAC3-methyl-5-(methylamino)hexan-2-one
SMILESCNC(C)CC(C)C(C)=O
InChIInChI=1S/C8H17NO/c1-6(8(3)10)5-7(2)9-4/h6-7,9H,5H2,1-4H3
InChIKeyKNMLWIHRIGFPEL-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.21
Rot. Bonds4

About 3-methyl-5-(methylamino)hexan-2-one

3-methyl-5-(methylamino)hexan-2-one (PubChem CID 20697248) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)hexan-2-one.

Molecular Properties

Compound Name3-methyl-5-(methylamino)hexan-2-one
PubChem CID20697248
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methyl-5-(methylamino)hexan-2-one
SMILESCNC(C)CC(C)C(C)=O
InChIInChI=1S/C8H17NO/c1-6(8(3)10)5-7(2)9-4/h6-7,9H,5H2,1-4H3
InChIKeyKNMLWIHRIGFPEL-UHFFFAOYSA-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 3-methyl-5-(methylamino)hexan-2-one?
The IUPAC name of 3-methyl-5-(methylamino)hexan-2-one (CID 20697248) is 3-methyl-5-(methylamino)hexan-2-one.
What is the SMILES notation for 3-methyl-5-(methylamino)hexan-2-one?
The canonical SMILES for 3-methyl-5-(methylamino)hexan-2-one is CNC(C)CC(C)C(C)=O.
What is the InChIKey of 3-methyl-5-(methylamino)hexan-2-one?
The InChIKey is KNMLWIHRIGFPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(8(3)10)5-7(2)9-4/h6-7,9H,5H2,1-4H3.
What are the key properties of 3-methyl-5-(methylamino)hexan-2-one?
3-methyl-5-(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 3-methyl-5-(methylamino)hexan-2-one is sourced from PubChem (CID 20697248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).