2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one

C17H31N3O — CID 83262954

IUPAC2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C)N(C2CC3CCCC(C2)N3C)C1=O
InChIInChI=1S/C17H31N3O/c1-11(2)8-16-17(21)20(12(3)18-16)15-9-13-6-5-7-14(10-15)19(13)4/h11-16,18H,5-10H2,1-4H3
InChIKeyJPGAMVJLBONXJC-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.19
Rot. Bonds3

About 2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one

2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83262954) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID83262954
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C)N(C2CC3CCCC(C2)N3C)C1=O
InChIInChI=1S/C17H31N3O/c1-11(2)8-16-17(21)20(12(3)18-16)15-9-13-6-5-7-14(10-15)19(13)4/h11-16,18H,5-10H2,1-4H3
InChIKeyJPGAMVJLBONXJC-UHFFFAOYSA-N
XLogP2.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one (CID 83262954) is 2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NC(C)N(C2CC3CCCC(C2)N3C)C1=O.
What is the InChIKey of 2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is JPGAMVJLBONXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-11(2)8-16-17(21)20(12(3)18-16)15-9-13-6-5-7-14(10-15)19(13)4/h11-16,18H,5-10H2,1-4H3.
What are the key properties of 2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one?
2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 293.45 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83262954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).