3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione

C14H27N3O2 — CID 106708350

IUPAC3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CCCCC(C)(C)CN)C1=O
InChIInChI=1S/C14H27N3O2/c1-4-7-11-12(18)17(13(19)16-11)9-6-5-8-14(2,3)10-15/h11H,4-10,15H2,1-3H3,(H,16,19)
InChIKeySNTGMVFJIQAJID-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.86
Rot. Bonds8

About 3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione

3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione (PubChem CID 106708350) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione
PubChem CID106708350
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CCCCC(C)(C)CN)C1=O
InChIInChI=1S/C14H27N3O2/c1-4-7-11-12(18)17(13(19)16-11)9-6-5-8-14(2,3)10-15/h11H,4-10,15H2,1-3H3,(H,16,19)
InChIKeySNTGMVFJIQAJID-UHFFFAOYSA-N
XLogP1.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione
CID 43135563
ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate
CID 11712165
3-prop-2-enyl-5-propylimidazolidine-2,4-dione
CID 170447663
ethyl 3-[1-[12-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]dodecyl]-2,5-dioxoimidazolidin-4-yl]propanoate
CID 11642629
3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione
CID 81081593
2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetohydrazide
CID 63577727
3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione
CID 103071713
butyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetate
CID 54942288
3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid
CID 6486729
1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one
CID 106708444
3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione
CID 63912854
3-(3-amino-2-ethoxypropyl)-5-propylimidazolidine-2,4-dione
CID 63072352

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione (CID 106708350) is 3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(CCCCC(C)(C)CN)C1=O.
What is the InChIKey of 3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione?
The InChIKey is SNTGMVFJIQAJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-7-11-12(18)17(13(19)16-11)9-6-5-8-14(2,3)10-15/h11H,4-10,15H2,1-3H3,(H,16,19).
What are the key properties of 3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione?
3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione has a molecular weight of 269.39 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 106708350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).