4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one

C14H27N3O2 — CID 79968331

IUPAC4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
SMILESCCCCCCCC1(C)C(N)=NC(=O)N1CCOC
InChIInChI=1S/C14H27N3O2/c1-4-5-6-7-8-9-14(2)12(15)16-13(18)17(14)10-11-19-3/h4-11H2,1-3H3,(H2,15,16,18)
InChIKeyPIXQEIVIKXQWAK-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.54
Rot. Bonds9

About 4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one

4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one (PubChem CID 79968331) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
PubChem CID79968331
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
SMILESCCCCCCCC1(C)C(N)=NC(=O)N1CCOC
InChIInChI=1S/C14H27N3O2/c1-4-5-6-7-8-9-14(2)12(15)16-13(18)17(14)10-11-19-3/h4-11H2,1-3H3,(H2,15,16,18)
InChIKeyPIXQEIVIKXQWAK-UHFFFAOYSA-N
XLogP2.54
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967094
4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one
CID 79967104
5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one
CID 138390848
4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967017
8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 106824969
4-amino-1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79966909
4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one
CID 79972355
4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79967190
4-amino-5,5-dimethyl-1-propylimidazol-2-one
CID 79959875
1-(2-methoxyethyl)-5,5-dipropyl-4H-imidazol-2-amine
CID 79504925
4-amino-6-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 114510778
4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968039

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one?
The IUPAC name of 4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one (CID 79968331) is 4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one.
What is the SMILES notation for 4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one?
The canonical SMILES for 4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one is CCCCCCCC1(C)C(N)=NC(=O)N1CCOC.
What is the InChIKey of 4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one?
The InChIKey is PIXQEIVIKXQWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-5-6-7-8-9-14(2)12(15)16-13(18)17(14)10-11-19-3/h4-11H2,1-3H3,(H2,15,16,18).
What are the key properties of 4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one?
4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one has a molecular weight of 269.39 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one is sourced from PubChem (CID 79968331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).