1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea

C15H21N3O — CID 578299

IUPAC1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NN=C1CCCCC1
InChIInChI=1S/C15H21N3O/c1-11-7-6-8-12(2)14(11)16-15(19)18-17-13-9-4-3-5-10-13/h6-8H,3-5,9-10H2,1-2H3,(H2,16,18,19)
InChIKeyKZRRUAKHCDPXLF-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.75
Rot. Bonds2

About 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea

1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea (PubChem CID 578299) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea
PubChem CID578299
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NN=C1CCCCC1
InChIInChI=1S/C15H21N3O/c1-11-7-6-8-12(2)14(11)16-15(19)18-17-13-9-4-3-5-10-13/h6-8H,3-5,9-10H2,1-2H3,(H2,16,18,19)
InChIKeyKZRRUAKHCDPXLF-UHFFFAOYSA-N
XLogP3.75
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea (CID 578299) is 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)NN=C1CCCCC1.
What is the InChIKey of 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea?
The InChIKey is KZRRUAKHCDPXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-7-6-8-12(2)14(11)16-15(19)18-17-13-9-4-3-5-10-13/h6-8H,3-5,9-10H2,1-2H3,(H2,16,18,19).
What are the key properties of 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea?
1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea has a molecular weight of 259.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 578299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).