1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one

C13H25N3O2 — CID 65050508

IUPAC1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one
SMILESCC1CCC(CN)(OCCN2CCNC2=O)CC1
InChIInChI=1S/C13H25N3O2/c1-11-2-4-13(10-14,5-3-11)18-9-8-16-7-6-15-12(16)17/h11H,2-10,14H2,1H3,(H,15,17)
InChIKeyFAIHJNNIQIRNTM-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.94
Rot. Bonds5

About 1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one

1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one (PubChem CID 65050508) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one
PubChem CID65050508
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one
SMILESCC1CCC(CN)(OCCN2CCNC2=O)CC1
InChIInChI=1S/C13H25N3O2/c1-11-2-4-13(10-14,5-3-11)18-9-8-16-7-6-15-12(16)17/h11H,2-10,14H2,1H3,(H,15,17)
InChIKeyFAIHJNNIQIRNTM-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one (CID 65050508) is 1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one is CC1CCC(CN)(OCCN2CCNC2=O)CC1.
What is the InChIKey of 1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one?
The InChIKey is FAIHJNNIQIRNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11-2-4-13(10-14,5-3-11)18-9-8-16-7-6-15-12(16)17/h11H,2-10,14H2,1H3,(H,15,17).
What are the key properties of 1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one?
1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(aminomethyl)-4-methylcyclohexyl]oxyethyl]imidazolidin-2-one is sourced from PubChem (CID 65050508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).