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

C16H28N2O3 — CID 97238590

IUPAC1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione
SMILESC[C@H]1CC(C)(C)C[C@@](CO)(NCCN2C(=O)CCC2=O)C1
InChIInChI=1S/C16H28N2O3/c1-12-8-15(2,3)10-16(9-12,11-19)17-6-7-18-13(20)4-5-14(18)21/h12,17,19H,4-11H2,1-3H3/t12-,16-/m0/s1
InChIKeyJVZHJPZAYTUROP-LRDDRELGSA-N
MW296.41 g/mol
LogP1.30
Rot. Bonds5

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

1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione (PubChem CID 97238590) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione
PubChem CID97238590
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione
SMILESC[C@H]1CC(C)(C)C[C@@](CO)(NCCN2C(=O)CCC2=O)C1
InChIInChI=1S/C16H28N2O3/c1-12-8-15(2,3)10-16(9-12,11-19)17-6-7-18-13(20)4-5-14(18)21/h12,17,19H,4-11H2,1-3H3/t12-,16-/m0/s1
InChIKeyJVZHJPZAYTUROP-LRDDRELGSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-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-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 96567141
3-[2-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 96567138
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
[3,3,5-trimethyl-1-[3-(1-methylpyrazol-4-yl)propylamino]cyclohexyl]methanol
CID 111757457
[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61055766
N-[4-[3-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propylsulfonyl]phenyl]acetamide
CID 95785521
1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea
CID 95784243
3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 111440274
2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 111543496

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione (CID 97238590) is 1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione is C[C@H]1CC(C)(C)C[C@@](CO)(NCCN2C(=O)CCC2=O)C1.
What is the InChIKey of 1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione?
The InChIKey is JVZHJPZAYTUROP-LRDDRELGSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-8-15(2,3)10-16(9-12,11-19)17-6-7-18-13(20)4-5-14(18)21/h12,17,19H,4-11H2,1-3H3/t12-,16-/m0/s1.
What are the key properties of 1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione?
1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 97238590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).