1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea

C12H22N2O — CID 134989408

IUPAC1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea
SMILESCCCC1(NC(=O)N(C)C)C=CCCC1
InChIInChI=1S/C12H22N2O/c1-4-8-12(9-6-5-7-10-12)13-11(15)14(2)3/h6,9H,4-5,7-8,10H2,1-3H3,(H,13,15)
InChIKeyOXFJATVIHWYXOZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.54
Rot. Bonds3

About 1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea

1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea (PubChem CID 134989408) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea
PubChem CID134989408
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea
SMILESCCCC1(NC(=O)N(C)C)C=CCCC1
InChIInChI=1S/C12H22N2O/c1-4-8-12(9-6-5-7-10-12)13-11(15)14(2)3/h6,9H,4-5,7-8,10H2,1-3H3,(H,13,15)
InChIKeyOXFJATVIHWYXOZ-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea (CID 134989408) is 1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea is CCCC1(NC(=O)N(C)C)C=CCCC1.
What is the InChIKey of 1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea?
The InChIKey is OXFJATVIHWYXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-8-12(9-6-5-7-10-12)13-11(15)14(2)3/h6,9H,4-5,7-8,10H2,1-3H3,(H,13,15).
What are the key properties of 1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea?
1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea has a molecular weight of 210.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea is sourced from PubChem (CID 134989408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).