1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea

C12H23N3O2 — CID 55252426

IUPAC1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea
SMILESNC1CCC(OCCNC(=O)NC2CC2)CC1
InChIInChI=1S/C12H23N3O2/c13-9-1-5-11(6-2-9)17-8-7-14-12(16)15-10-3-4-10/h9-11H,1-8,13H2,(H2,14,15,16)
InChIKeySNEOYNDWMYFLOP-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.73
Rot. Bonds5

About 1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea

1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea (PubChem CID 55252426) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea
PubChem CID55252426
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea
SMILESNC1CCC(OCCNC(=O)NC2CC2)CC1
InChIInChI=1S/C12H23N3O2/c13-9-1-5-11(6-2-9)17-8-7-14-12(16)15-10-3-4-10/h9-11H,1-8,13H2,(H2,14,15,16)
InChIKeySNEOYNDWMYFLOP-UHFFFAOYSA-N
XLogP0.73
TPSA76.38 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 ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-(2-Methoxycyclohexyl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 84588916
1-(4-hydroxycyclohexyl)-3-[(2S)-1-methoxyhexan-2-yl]urea
CID 96373776
1-(2-Fluoroethyl)-3-(2-methoxycyclohexyl)urea
CID 88976772
1-(2-Fluoroethyl)-3-(2-propoxycyclohexyl)urea
CID 88976838
1-Cyclohexyl-3-[[(2~{r})-Oxolan-2-Yl]methyl]urea
CID 681640
1-[2-(4-Aminocyclohexyl)oxyethyl]-3-(2,2,2-trifluoroethyl)urea
CID 116013316
1-Cyclopropyl-3-(oxan-2-ylmethyl)-1-propylurea
CID 58376008
1-Cyclopropyl-3-(4-methoxycyclohexyl)-1-propylurea
CID 58376434
[(1R,2R)-2-butoxycyclohexyl]urea
CID 68086217
1-(2-Butoxyethyl)-3-cyclohexylurea
CID 115595366
1-[(3R,6R)-5-amino-6-(aminomethyl)-2-methyloxan-3-yl]-3-hexylurea
CID 138741560

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea?
The IUPAC name of 1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea (CID 55252426) is 1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea?
The canonical SMILES for 1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea is NC1CCC(OCCNC(=O)NC2CC2)CC1.
What is the InChIKey of 1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea?
The InChIKey is SNEOYNDWMYFLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-9-1-5-11(6-2-9)17-8-7-14-12(16)15-10-3-4-10/h9-11H,1-8,13H2,(H2,14,15,16).
What are the key properties of 1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea?
1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea has a molecular weight of 241.33 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminocyclohexyl)oxyethyl]-3-cyclopropylurea is sourced from PubChem (CID 55252426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).