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

C14H27N3O2 — CID 65051176

IUPAC1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one
SMILESCC1(C)CCC(CN)(OCCN2CCNC2=O)CC1
InChIInChI=1S/C14H27N3O2/c1-13(2)3-5-14(11-15,6-4-13)19-10-9-17-8-7-16-12(17)18/h3-11,15H2,1-2H3,(H,16,18)
InChIKeyUHGULLSADPAKQA-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.33
Rot. Bonds5

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

1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one (PubChem CID 65051176) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one
PubChem CID65051176
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one
SMILESCC1(C)CCC(CN)(OCCN2CCNC2=O)CC1
InChIInChI=1S/C14H27N3O2/c1-13(2)3-5-14(11-15,6-4-13)19-10-9-17-8-7-16-12(17)18/h3-11,15H2,1-2H3,(H,16,18)
InChIKeyUHGULLSADPAKQA-UHFFFAOYSA-N
XLogP1.33
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.33
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)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one (CID 65051176) is 1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one is CC1(C)CCC(CN)(OCCN2CCNC2=O)CC1.
What is the InChIKey of 1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one?
The InChIKey is UHGULLSADPAKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(2)3-5-14(11-15,6-4-13)19-10-9-17-8-7-16-12(17)18/h3-11,15H2,1-2H3,(H,16,18).
What are the key properties of 1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one?
1-[2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one has a molecular weight of 269.39 g/mol, XLogP of 1.33, 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)-4,4-dimethylcyclohexyl]oxyethyl]imidazolidin-2-one is sourced from PubChem (CID 65051176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).