1-cyclohexyl-3-[2-(ethylamino)ethyl]urea

C11H23N3O — CID 62663846

IUPAC1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
SMILESCCNCCNC(=O)NC1CCCCC1
InChIInChI=1S/C11H23N3O/c1-2-12-8-9-13-11(15)14-10-6-4-3-5-7-10/h10,12H,2-9H2,1H3,(H2,13,14,15)
InChIKeyJVNYFDOVLYGDSX-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.23
Rot. Bonds5

About 1-cyclohexyl-3-[2-(ethylamino)ethyl]urea

1-cyclohexyl-3-[2-(ethylamino)ethyl]urea (PubChem CID 62663846) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(ethylamino)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
PubChem CID62663846
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
SMILESCCNCCNC(=O)NC1CCCCC1
InChIInChI=1S/C11H23N3O/c1-2-12-8-9-13-11(15)14-10-6-4-3-5-7-10/h10,12H,2-9H2,1H3,(H2,13,14,15)
InChIKeyJVNYFDOVLYGDSX-UHFFFAOYSA-N
XLogP1.23
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-propylurea
CID 14343339
1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593877
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide
CID 119508167
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
1-cyclopentyl-3-(2-oxoethyl)urea
CID 117235815
N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide
CID 59418797
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
3-[3-(ethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63041759
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(ethylamino)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(ethylamino)ethyl]urea (CID 62663846) is 1-cyclohexyl-3-[2-(ethylamino)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(ethylamino)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(ethylamino)ethyl]urea is CCNCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(ethylamino)ethyl]urea?
The InChIKey is JVNYFDOVLYGDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-12-8-9-13-11(15)14-10-6-4-3-5-7-10/h10,12H,2-9H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclohexyl-3-[2-(ethylamino)ethyl]urea?
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea has a molecular weight of 213.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(ethylamino)ethyl]urea is sourced from PubChem (CID 62663846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).