1-cyclohexyl-3-(dimethylamino)urea

C9H19N3O — CID 3617823

IUPAC1-cyclohexyl-3-(dimethylamino)urea
SMILESCN(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C9H19N3O/c1-12(2)11-9(13)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,10,11,13)
InChIKeyAGWFEHOSMCUSIB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds2

About 1-cyclohexyl-3-(dimethylamino)urea

1-cyclohexyl-3-(dimethylamino)urea (PubChem CID 3617823) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-cyclohexyl-3-(dimethylamino)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(dimethylamino)urea
PubChem CID3617823
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-cyclohexyl-3-(dimethylamino)urea
SMILESCN(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C9H19N3O/c1-12(2)11-9(13)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,10,11,13)
InChIKeyAGWFEHOSMCUSIB-UHFFFAOYSA-N
XLogP1.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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1-cyclobutyl-3-cyclohexylurea
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1-cycloheptyl-3-methoxyurea
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2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
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2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(dimethylamino)urea?
The IUPAC name of 1-cyclohexyl-3-(dimethylamino)urea (CID 3617823) is 1-cyclohexyl-3-(dimethylamino)urea.
What is the SMILES notation for 1-cyclohexyl-3-(dimethylamino)urea?
The canonical SMILES for 1-cyclohexyl-3-(dimethylamino)urea is CN(C)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(dimethylamino)urea?
The InChIKey is AGWFEHOSMCUSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12(2)11-9(13)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-cyclohexyl-3-(dimethylamino)urea?
1-cyclohexyl-3-(dimethylamino)urea has a molecular weight of 185.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(dimethylamino)urea is sourced from PubChem (CID 3617823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).