ethane;10-(methylamino)decan-2-one;molecular hydrogen

C13H31NO — CID 164864463

IUPACethane;10-(methylamino)decan-2-one;molecular hydrogen
SMILESCC.CNCCCCCCCCC(C)=O.[H][H]
InChIInChI=1S/C11H23NO.C2H6.H2/c1-11(13)9-7-5-3-4-6-8-10-12-2;1-2;/h12H,3-10H2,1-2H3;1-2H3;1H
InChIKeyGYFOJWWOMZHZDL-UHFFFAOYSA-N
MW217.40 g/mol
LogP3.80
Rot. Bonds9

About ethane;10-(methylamino)decan-2-one;molecular hydrogen

ethane;10-(methylamino)decan-2-one;molecular hydrogen (PubChem CID 164864463) has the molecular formula C13H31NO and a molecular weight of 217.40 g/mol. Its IUPAC name is ethane;10-(methylamino)decan-2-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;10-(methylamino)decan-2-one;molecular hydrogen
PubChem CID164864463
Molecular FormulaC13H31NO
Molecular Weight217.40 g/mol
Exact Mass217.24
IUPAC Nameethane;10-(methylamino)decan-2-one;molecular hydrogen
SMILESCC.CNCCCCCCCCC(C)=O.[H][H]
InChIInChI=1S/C11H23NO.C2H6.H2/c1-11(13)9-7-5-3-4-6-8-10-12-2;1-2;/h12H,3-10H2,1-2H3;1-2H3;1H
InChIKeyGYFOJWWOMZHZDL-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 176694896
13-(methylamino)tridecan-2-one
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methane;12-(methylamino)dodecan-2-one;propane
CID 158218512
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
6-(methylamino)hexanoic acid
CID 4989372
ethane;5-(methylamino)pentanoic acid
CID 178043439
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
ethane;molecular hydrogen;7-(propan-2-ylamino)heptan-2-one
CID 155740570
ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen
CID 169159535
5-(methylamino)pentanoic acid
CID 91583432
docosane-2,21-dione
CID 537416

Frequently Asked Questions

What is the IUPAC name of ethane;10-(methylamino)decan-2-one;molecular hydrogen?
The IUPAC name of ethane;10-(methylamino)decan-2-one;molecular hydrogen (CID 164864463) is ethane;10-(methylamino)decan-2-one;molecular hydrogen.
What is the SMILES notation for ethane;10-(methylamino)decan-2-one;molecular hydrogen?
The canonical SMILES for ethane;10-(methylamino)decan-2-one;molecular hydrogen is CC.CNCCCCCCCCC(C)=O.[H][H].
What is the InChIKey of ethane;10-(methylamino)decan-2-one;molecular hydrogen?
The InChIKey is GYFOJWWOMZHZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6.H2/c1-11(13)9-7-5-3-4-6-8-10-12-2;1-2;/h12H,3-10H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;10-(methylamino)decan-2-one;molecular hydrogen?
ethane;10-(methylamino)decan-2-one;molecular hydrogen has a molecular weight of 217.40 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10-(methylamino)decan-2-one;molecular hydrogen is sourced from PubChem (CID 164864463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).