1-(2-azidoethyl)-3-cyclohexylurea

C9H17N5O — CID 61342514

IUPAC1-(2-azidoethyl)-3-cyclohexylurea
SMILES[N-]=[N+]=NCCNC(=O)NC1CCCCC1
InChIInChI=1S/C9H17N5O/c10-14-12-7-6-11-9(15)13-8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,13,15)
InChIKeyYTQHIFWWKNRXFJ-UHFFFAOYSA-N
MW211.27 g/mol
LogP1.93
Rot. Bonds4

About 1-(2-azidoethyl)-3-cyclohexylurea

1-(2-azidoethyl)-3-cyclohexylurea (PubChem CID 61342514) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-(2-azidoethyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(2-azidoethyl)-3-cyclohexylurea
PubChem CID61342514
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-(2-azidoethyl)-3-cyclohexylurea
SMILES[N-]=[N+]=NCCNC(=O)NC1CCCCC1
InChIInChI=1S/C9H17N5O/c10-14-12-7-6-11-9(15)13-8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,13,15)
InChIKeyYTQHIFWWKNRXFJ-UHFFFAOYSA-N
XLogP1.93
TPSA89.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-propylurea
CID 14343339
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
1-(2-aminooxyethyl)-3-cyclopentylurea
CID 143252596
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
1-cyclopentyl-3-[2-(methylsulfamoyl)ethyl]urea
CID 84523572
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-3-cyclohexylurea?
The IUPAC name of 1-(2-azidoethyl)-3-cyclohexylurea (CID 61342514) is 1-(2-azidoethyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(2-azidoethyl)-3-cyclohexylurea?
The canonical SMILES for 1-(2-azidoethyl)-3-cyclohexylurea is [N-]=[N+]=NCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-(2-azidoethyl)-3-cyclohexylurea?
The InChIKey is YTQHIFWWKNRXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c10-14-12-7-6-11-9(15)13-8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,13,15).
What are the key properties of 1-(2-azidoethyl)-3-cyclohexylurea?
1-(2-azidoethyl)-3-cyclohexylurea has a molecular weight of 211.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-3-cyclohexylurea is sourced from PubChem (CID 61342514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).