1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one

C12H23N3O2 — CID 62522416

IUPAC1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNC1(CO)CCCCC1
InChIInChI=1S/C12H23N3O2/c16-10-12(4-2-1-3-5-12)14-7-9-15-8-6-13-11(15)17/h14,16H,1-10H2,(H,13,17)
InChIKeyCKMLGCFZUGXCOF-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.30
Rot. Bonds5

About 1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one

1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one (PubChem CID 62522416) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one
PubChem CID62522416
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNC1(CO)CCCCC1
InChIInChI=1S/C12H23N3O2/c16-10-12(4-2-1-3-5-12)14-7-9-15-8-6-13-11(15)17/h14,16H,1-10H2,(H,13,17)
InChIKeyCKMLGCFZUGXCOF-UHFFFAOYSA-N
XLogP0.30
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one (CID 62522416) is 1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNC1(CO)CCCCC1.
What is the InChIKey of 1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one?
The InChIKey is CKMLGCFZUGXCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c16-10-12(4-2-1-3-5-12)14-7-9-15-8-6-13-11(15)17/h14,16H,1-10H2,(H,13,17).
What are the key properties of 1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one?
1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 62522416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).