13-(methylamino)tridecan-2-one

C14H29NO — CID 23382037

IUPAC13-(methylamino)tridecan-2-one
SMILESCNCCCCCCCCCCCC(C)=O
InChIInChI=1S/C14H29NO/c1-14(16)12-10-8-6-4-3-5-7-9-11-13-15-2/h15H,3-13H2,1-2H3
InChIKeyVVXRTFAALWEZFO-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.70
Rot. Bonds12

About 13-(methylamino)tridecan-2-one

13-(methylamino)tridecan-2-one (PubChem CID 23382037) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 13-(methylamino)tridecan-2-one.

Molecular Properties

Compound Name13-(methylamino)tridecan-2-one
PubChem CID23382037
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name13-(methylamino)tridecan-2-one
SMILESCNCCCCCCCCCCCC(C)=O
InChIInChI=1S/C14H29NO/c1-14(16)12-10-8-6-4-3-5-7-9-11-13-15-2/h15H,3-13H2,1-2H3
InChIKeyVVXRTFAALWEZFO-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 13-(methylamino)tridecan-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

ethane;7-(methylamino)heptan-2-one
CID 176694896
methane;12-(methylamino)dodecan-2-one;propane
CID 158218512
ethane;10-(methylamino)decan-2-one;molecular hydrogen
CID 164864463
7-(methylamino)heptan-2-one;1-(methylamino)propan-2-one;tetradecane-2,13-dione
CID 123967487
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
ethyl 5-(methylamino)pentanoate;ethyl 6-oxoheptanoate
CID 160861105
6-(methylamino)hexanoic acid
CID 4989372
8-(hydroxyamino)octan-2-one
CID 89395522
N-(hydroxymethyl)-6-(methylamino)-N-(6-oxoheptyl)hexanamide
CID 20645752
N-methyl-11-(methylamino)undecanamide
CID 59809097

Frequently Asked Questions

What is the IUPAC name of 13-(methylamino)tridecan-2-one?
The IUPAC name of 13-(methylamino)tridecan-2-one (CID 23382037) is 13-(methylamino)tridecan-2-one.
What is the SMILES notation for 13-(methylamino)tridecan-2-one?
The canonical SMILES for 13-(methylamino)tridecan-2-one is CNCCCCCCCCCCCC(C)=O.
What is the InChIKey of 13-(methylamino)tridecan-2-one?
The InChIKey is VVXRTFAALWEZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(16)12-10-8-6-4-3-5-7-9-11-13-15-2/h15H,3-13H2,1-2H3.
What are the key properties of 13-(methylamino)tridecan-2-one?
13-(methylamino)tridecan-2-one has a molecular weight of 227.39 g/mol, XLogP of 3.70, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(methylamino)tridecan-2-one is sourced from PubChem (CID 23382037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).