1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one

C13H25N3O2 — CID 106938343

IUPAC1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one
SMILESNC1(COCCN2CCNC2=O)CCCCCC1
InChIInChI=1S/C13H25N3O2/c14-13(5-3-1-2-4-6-13)11-18-10-9-16-8-7-15-12(16)17/h1-11,14H2,(H,15,17)
InChIKeyLOMBDLRLUGSNMA-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.08
Rot. Bonds5

About 1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one

1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one (PubChem CID 106938343) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one
PubChem CID106938343
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one
SMILESNC1(COCCN2CCNC2=O)CCCCCC1
InChIInChI=1S/C13H25N3O2/c14-13(5-3-1-2-4-6-13)11-18-10-9-16-8-7-15-12(16)17/h1-11,14H2,(H,15,17)
InChIKeyLOMBDLRLUGSNMA-UHFFFAOYSA-N
XLogP1.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one
CID 13436733
1-[2-[1-(Aminomethyl)cycloheptyl]oxyethyl]imidazolidin-2-one
CID 65051638
1-[1-(Aminomethyl)cycloheptyl]-3-(oxolan-3-yl)-1-propylurea
CID 80237595
1-[1-(Aminomethyl)cycloheptyl]-1-methyl-3-(oxolan-3-yl)urea
CID 80260034
1-[1-(Aminomethyl)cycloheptyl]-1-ethyl-3-(oxolan-3-yl)urea
CID 80260221
1-[1-(Aminomethyl)cycloheptyl]-3-(oxolan-3-yl)urea
CID 80260511
1-[2-[(1-Aminocyclopentyl)methoxy]ethyl]imidazolidin-2-one
CID 106938219
1-[2-[[2-(Aminomethyl)cyclohexyl]methoxy]ethyl]imidazolidin-2-one
CID 106938440
1-[2-(2-Aminocycloheptyl)oxyethyl]imidazolidin-2-one
CID 106938892
1-[2-[(1-Aminocyclohexyl)methoxy]ethyl]imidazolidin-2-one
CID 113895251

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one (CID 106938343) is 1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one is NC1(COCCN2CCNC2=O)CCCCCC1.
What is the InChIKey of 1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one?
The InChIKey is LOMBDLRLUGSNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-13(5-3-1-2-4-6-13)11-18-10-9-16-8-7-15-12(16)17/h1-11,14H2,(H,15,17).
What are the key properties of 1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one?
1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-aminocycloheptyl)methoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 106938343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).