5-(methylamino)pentan-2-one

C6H13NO — CID 20668328

IUPAC5-(methylamino)pentan-2-one
SMILESCNCCCC(C)=O
InChIInChI=1S/C6H13NO/c1-6(8)4-3-5-7-2/h7H,3-5H2,1-2H3
InChIKeyYOFYTIAEHLUATG-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.57
Rot. Bonds4

About 5-(methylamino)pentan-2-one

5-(methylamino)pentan-2-one (PubChem CID 20668328) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 5-(methylamino)pentan-2-one.

Molecular Properties

Compound Name5-(methylamino)pentan-2-one
PubChem CID20668328
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name5-(methylamino)pentan-2-one
SMILESCNCCCC(C)=O
InChIInChI=1S/C6H13NO/c1-6(8)4-3-5-7-2/h7H,3-5H2,1-2H3
InChIKeyYOFYTIAEHLUATG-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(methylamino)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pentanone, 5-(ethylamino)-
CID 100963
5-Aminopentan-2-one
CID 13593306
3-((Methylamino)methyl)cyclobutan-1-one hydrochloride
CID 121208109
6-Methylamino-2-hexanone
CID 13679983
N-(4-oxopentyl)acetamide
CID 21389567
5-(Ethylamino)-1,1,3,4-tetrafluoropentan-2-one
CID 89251848
1,1,3,4-Tetrafluoro-5-(methylamino)pentan-2-one
CID 89251928
5-(Ethylamino)-1,3,4-trifluoropentan-2-one
CID 89251941
1,3,4-Trifluoro-5-(methylamino)pentan-2-one
CID 89251970
2-Fluoro-1-(methylamino)hexan-3-one
CID 145157769
1-(Propylamino)pentan-2-one
CID 12987901
(4S)-4-(methylamino)pentan-2-one
CID 93497476

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)pentan-2-one?
The IUPAC name of 5-(methylamino)pentan-2-one (CID 20668328) is 5-(methylamino)pentan-2-one.
What is the SMILES notation for 5-(methylamino)pentan-2-one?
The canonical SMILES for 5-(methylamino)pentan-2-one is CNCCCC(C)=O.
What is the InChIKey of 5-(methylamino)pentan-2-one?
The InChIKey is YOFYTIAEHLUATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(8)4-3-5-7-2/h7H,3-5H2,1-2H3.
What are the key properties of 5-(methylamino)pentan-2-one?
5-(methylamino)pentan-2-one has a molecular weight of 115.18 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)pentan-2-one is sourced from PubChem (CID 20668328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).