5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one

C14H27N3O2 — CID 138390848

IUPAC5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1(C)CCCCCCC
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
LogP2.75
Rot. Bonds9

About 5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one

5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one (PubChem CID 138390848) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one
PubChem CID138390848
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1(C)CCCCCCC
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
XLogP2.75
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one
CID 138391184
1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138389354
4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79968331
5-ethyl-4-imino-1-(2-methoxyethyl)-5-(methoxymethyl)imidazolidin-2-one
CID 138389794
4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one
CID 138389048
1-benzyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138390340
4'-imino-1'-(2-methoxyethyl)-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2'-one
CID 138390461
4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138390466
5-ethyl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388406
4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389785
5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390237
6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138390780

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one?
The IUPAC name of 5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one (CID 138390848) is 5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one.
What is the SMILES notation for 5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one?
The canonical SMILES for 5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CCOC)C1(C)CCCCCCC.
What is the InChIKey of 5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-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 5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one?
5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one has a molecular weight of 269.39 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one is sourced from PubChem (CID 138390848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).