2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione

C18H32N2O2 — CID 91212833

IUPAC2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione
SMILESCCC(=O)C(CCCCC(C)(C)C(=O)C1=NCCC1C)NC
InChIInChI=1S/C18H32N2O2/c1-6-15(21)14(19-5)9-7-8-11-18(3,4)17(22)16-13(2)10-12-20-16/h13-14,19H,6-12H2,1-5H3
InChIKeyQIRJMXIPICNDRU-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.19
Rot. Bonds10

About 2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione

2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione (PubChem CID 91212833) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione.

Molecular Properties

Compound Name2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione
PubChem CID91212833
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione
SMILESCCC(=O)C(CCCCC(C)(C)C(=O)C1=NCCC1C)NC
InChIInChI=1S/C18H32N2O2/c1-6-15(21)14(19-5)9-7-8-11-18(3,4)17(22)16-13(2)10-12-20-16/h13-14,19H,6-12H2,1-5H3
InChIKeyQIRJMXIPICNDRU-UHFFFAOYSA-N
XLogP3.19
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione?
The IUPAC name of 2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione (CID 91212833) is 2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione.
What is the SMILES notation for 2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione?
The canonical SMILES for 2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione is CCC(=O)C(CCCCC(C)(C)C(=O)C1=NCCC1C)NC.
What is the InChIKey of 2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione?
The InChIKey is QIRJMXIPICNDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-6-15(21)14(19-5)9-7-8-11-18(3,4)17(22)16-13(2)10-12-20-16/h13-14,19H,6-12H2,1-5H3.
What are the key properties of 2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione?
2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione has a molecular weight of 308.47 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(methylamino)-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione is sourced from PubChem (CID 91212833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).