3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea

C13H24N2O — CID 134915210

IUPAC3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea
SMILESCCCC(NC(=O)N(C)C)C1=CCCCC1
InChIInChI=1S/C13H24N2O/c1-4-8-12(14-13(16)15(2)3)11-9-6-5-7-10-11/h9,12H,4-8,10H2,1-3H3,(H,14,16)
InChIKeyHMYYDRWGRQBXPN-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.93
Rot. Bonds4

About 3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea

3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea (PubChem CID 134915210) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea
PubChem CID134915210
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea
SMILESCCCC(NC(=O)N(C)C)C1=CCCCC1
InChIInChI=1S/C13H24N2O/c1-4-8-12(14-13(16)15(2)3)11-9-6-5-7-10-11/h9,12H,4-8,10H2,1-3H3,(H,14,16)
InChIKeyHMYYDRWGRQBXPN-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.93
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 3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea?
The IUPAC name of 3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea (CID 134915210) is 3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea?
The canonical SMILES for 3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea is CCCC(NC(=O)N(C)C)C1=CCCCC1.
What is the InChIKey of 3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea?
The InChIKey is HMYYDRWGRQBXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-8-12(14-13(16)15(2)3)11-9-6-5-7-10-11/h9,12H,4-8,10H2,1-3H3,(H,14,16).
What are the key properties of 3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea?
3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea has a molecular weight of 224.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexen-1-yl)butyl]-1,1-dimethylurea is sourced from PubChem (CID 134915210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).