5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione

C31H60N4O2 — CID 54072688

IUPAC5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione
SMILESCCCCCCCCCN(C)CN1C(=O)N(CN(C)CCCCCCCCC)C(C)(C2CCCC2)C1=O
InChIInChI=1S/C31H60N4O2/c1-6-8-10-12-14-16-20-24-32(4)26-34-29(36)31(3,28-22-18-19-23-28)35(30(34)37)27-33(5)25-21-17-15-13-11-9-7-2/h28H,6-27H2,1-5H3
InChIKeyMHOQXERECWKVLP-UHFFFAOYSA-N
MW520.85 g/mol
LogP7.48
Rot. Bonds21

About 5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione

5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione (PubChem CID 54072688) has the molecular formula C31H60N4O2 and a molecular weight of 520.85 g/mol. Its IUPAC name is 5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione
PubChem CID54072688
Molecular FormulaC31H60N4O2
Molecular Weight520.85 g/mol
Exact Mass520.47
IUPAC Name5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione
SMILESCCCCCCCCCN(C)CN1C(=O)N(CN(C)CCCCCCCCC)C(C)(C2CCCC2)C1=O
InChIInChI=1S/C31H60N4O2/c1-6-8-10-12-14-16-20-24-32(4)26-34-29(36)31(3,28-22-18-19-23-28)35(30(34)37)27-33(5)25-21-17-15-13-11-9-7-2/h28H,6-27H2,1-5H3
InChIKeyMHOQXERECWKVLP-UHFFFAOYSA-N
XLogP7.48
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.85
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-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

1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione
CID 54361411
N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine
CID 159993444
5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione
CID 144688670
3-[[methyl(octyl)amino]methyl]-5-octadec-9-enoylimidazolidine-2,4-dione
CID 70596059
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione (CID 54072688) is 5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione is CCCCCCCCCN(C)CN1C(=O)N(CN(C)CCCCCCCCC)C(C)(C2CCCC2)C1=O.
What is the InChIKey of 5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione?
The InChIKey is MHOQXERECWKVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60N4O2/c1-6-8-10-12-14-16-20-24-32(4)26-34-29(36)31(3,28-22-18-19-23-28)35(30(34)37)27-33(5)25-21-17-15-13-11-9-7-2/h28H,6-27H2,1-5H3.
What are the key properties of 5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione?
5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione has a molecular weight of 520.85 g/mol, XLogP of 7.48, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 54072688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).