1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea

C26H44N4O2 — CID 23424470

IUPAC1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea
SMILESCN(C)C(=O)NC1CC2C3CCC(C3)C2C1.CN(C)C(=O)NC1CCC2C3CCC(C3)C12
InChIInChI=1S/2C13H22N2O/c1-15(2)13(16)14-10-6-11-8-3-4-9(5-8)12(11)7-10;1-15(2)13(16)14-11-6-5-10-8-3-4-9(7-8)12(10)11/h2*8-12H,3-7H2,1-2H3,(H,14,16)
InChIKeyWKGDDUAAVDGUIQ-UHFFFAOYSA-N
MW444.66 g/mol
LogP4.16
Rot. Bonds2

About 1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea

1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea (PubChem CID 23424470) has the molecular formula C26H44N4O2 and a molecular weight of 444.66 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea
PubChem CID23424470
Molecular FormulaC26H44N4O2
Molecular Weight444.66 g/mol
Exact Mass444.35
IUPAC Name1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea
SMILESCN(C)C(=O)NC1CC2C3CCC(C3)C2C1.CN(C)C(=O)NC1CCC2C3CCC(C3)C12
InChIInChI=1S/2C13H22N2O/c1-15(2)13(16)14-10-6-11-8-3-4-9(5-8)12(11)7-10;1-15(2)13(16)14-11-6-5-10-8-3-4-9(7-8)12(10)11/h2*8-12H,3-7H2,1-2H3,(H,14,16)
InChIKeyWKGDDUAAVDGUIQ-UHFFFAOYSA-N
XLogP4.16
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea?
The IUPAC name of 1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea (CID 23424470) is 1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea is CN(C)C(=O)NC1CC2C3CCC(C3)C2C1.CN(C)C(=O)NC1CCC2C3CCC(C3)C12.
What is the InChIKey of 1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea?
The InChIKey is WKGDDUAAVDGUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H22N2O/c1-15(2)13(16)14-10-6-11-8-3-4-9(5-8)12(11)7-10;1-15(2)13(16)14-11-6-5-10-8-3-4-9(7-8)12(10)11/h2*8-12H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea?
1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea has a molecular weight of 444.66 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea;1,1-dimethyl-3-(4-tricyclo[5.2.1.02,6]decanyl)urea is sourced from PubChem (CID 23424470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).