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

C16H29N3O — CID 83263928

IUPAC2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one
SMILESCCC1NC(CC)N(C2CC3CCCC(C2)N3C)C1=O
InChIInChI=1S/C16H29N3O/c1-4-14-16(20)19(15(5-2)17-14)13-9-11-7-6-8-12(10-13)18(11)3/h11-15,17H,4-10H2,1-3H3
InChIKeyFTFYHZHNEOZKPC-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.95
Rot. Bonds3

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

2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one (PubChem CID 83263928) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one
PubChem CID83263928
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one
SMILESCCC1NC(CC)N(C2CC3CCCC(C2)N3C)C1=O
InChIInChI=1S/C16H29N3O/c1-4-14-16(20)19(15(5-2)17-14)13-9-11-7-6-8-12(10-13)18(11)3/h11-15,17H,4-10H2,1-3H3
InChIKeyFTFYHZHNEOZKPC-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylcyclohexyl)-2,5-diethylimidazolidin-4-one
CID 83263458
3-cyclooctyl-2-ethyl-5-propylimidazolidin-4-one
CID 83238796
2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one
CID 103065473
2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83262954
5-butyl-2-ethyl-3-(3-ethylcyclohexyl)imidazolidin-4-one
CID 83258233
2,5-diethyl-3-(2-ethylcyclohexyl)imidazolidin-4-one
CID 83249976
3-(3,5-dimethylcyclohexyl)-2-ethyl-5-propylimidazolidin-4-one
CID 83259395
5-ethyl-3-(3-methylcyclopentyl)-2-propylimidazolidin-4-one
CID 114552240
3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one
CID 83244035
5-ethyl-3-(2-methylcyclopentyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83257488
2-ethyl-5-(2-methylpropyl)-3-(oxan-4-yl)imidazolidin-4-one
CID 83255946
3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one
CID 83242202

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one?
The IUPAC name of 2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one (CID 83263928) is 2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one.
What is the SMILES notation for 2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one?
The canonical SMILES for 2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one is CCC1NC(CC)N(C2CC3CCCC(C2)N3C)C1=O.
What is the InChIKey of 2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one?
The InChIKey is FTFYHZHNEOZKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-14-16(20)19(15(5-2)17-14)13-9-11-7-6-8-12(10-13)18(11)3/h11-15,17H,4-10H2,1-3H3.
What are the key properties of 2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one?
2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one has a molecular weight of 279.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one is sourced from PubChem (CID 83263928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).