2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one

C18H33NO2 — CID 122676931

IUPAC2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one
SMILESCC(C)C(=O)CC/C=N/CCCCCCCC(=O)C(C)C
InChIInChI=1S/C18H33NO2/c1-15(2)17(20)11-8-6-5-7-9-13-19-14-10-12-18(21)16(3)4/h14-16H,5-13H2,1-4H3/b19-14+
InChIKeyMRKXOEZIWBRIQF-XMHGGMMESA-N
MW295.47 g/mol
LogP4.63
Rot. Bonds13

About 2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one

2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one (PubChem CID 122676931) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one.

Molecular Properties

Compound Name2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one
PubChem CID122676931
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one
SMILESCC(C)C(=O)CC/C=N/CCCCCCCC(=O)C(C)C
InChIInChI=1S/C18H33NO2/c1-15(2)17(20)11-8-6-5-7-9-13-19-14-10-12-18(21)16(3)4/h14-16H,5-13H2,1-4H3/b19-14+
InChIKeyMRKXOEZIWBRIQF-XMHGGMMESA-N
XLogP4.63
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one?
The IUPAC name of 2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one (CID 122676931) is 2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one.
What is the SMILES notation for 2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one?
The canonical SMILES for 2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one is CC(C)C(=O)CC/C=N/CCCCCCCC(=O)C(C)C.
What is the InChIKey of 2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one?
The InChIKey is MRKXOEZIWBRIQF-XMHGGMMESA-N. The full InChI is InChI=1S/C18H33NO2/c1-15(2)17(20)11-8-6-5-7-9-13-19-14-10-12-18(21)16(3)4/h14-16H,5-13H2,1-4H3/b19-14+.
What are the key properties of 2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one?
2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one has a molecular weight of 295.47 g/mol, XLogP of 4.63, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-[(5-methyl-4-oxohexylidene)amino]decan-3-one is sourced from PubChem (CID 122676931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).