3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C17H31N3O3 — CID 96567141

IUPAC3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC[C@H]1CC(C)(C)C[C@](CO)(NCCN2C(=O)NC(C)(C)C2=O)C1
InChIInChI=1S/C17H31N3O3/c1-12-8-15(2,3)10-17(9-12,11-21)18-6-7-20-13(22)16(4,5)19-14(20)23/h12,18,21H,6-11H2,1-5H3,(H,19,23)/t12-,17+/m0/s1
InChIKeyIPZKHYFLHKNYLG-YVEFUNNKSA-N
MW325.45 g/mol
LogP1.48
Rot. Bonds5

About 3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 96567141) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID96567141
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC[C@H]1CC(C)(C)C[C@](CO)(NCCN2C(=O)NC(C)(C)C2=O)C1
InChIInChI=1S/C17H31N3O3/c1-12-8-15(2,3)10-17(9-12,11-21)18-6-7-20-13(22)16(4,5)19-14(20)23/h12,18,21H,6-11H2,1-5H3,(H,19,23)/t12-,17+/m0/s1
InChIKeyIPZKHYFLHKNYLG-YVEFUNNKSA-N
XLogP1.48
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 96567138
1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione
CID 97238590
3-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 97022779
[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61050703
3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide
CID 111757470
[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 111757450
3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid
CID 43466330
3-[2-[(2,6-dimethylcyclohexyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 75444192
[3,3,5-trimethyl-1-[3-(1-methylpyrazol-4-yl)propylamino]cyclohexyl]methanol
CID 111757457
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517031
3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 61387578
3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 111440274

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 96567141) is 3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is C[C@H]1CC(C)(C)C[C@](CO)(NCCN2C(=O)NC(C)(C)C2=O)C1.
What is the InChIKey of 3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is IPZKHYFLHKNYLG-YVEFUNNKSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-12-8-15(2,3)10-17(9-12,11-21)18-6-7-20-13(22)16(4,5)19-14(20)23/h12,18,21H,6-11H2,1-5H3,(H,19,23)/t12-,17+/m0/s1.
What are the key properties of 3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 325.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 96567141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).