1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine

C16H26N2 — CID 91415324

IUPAC1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine
SMILESCC1=CC(C)C(C)=C(N2CCN(C)C2(C)C)C=C1
InChIInChI=1S/C16H26N2/c1-12-7-8-15(14(3)13(2)11-12)18-10-9-17(6)16(18,4)5/h7-8,11,13H,9-10H2,1-6H3
InChIKeyIQBLLGKAEFFKAZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.40
Rot. Bonds1

About 1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine

1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine (PubChem CID 91415324) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine.

Molecular Properties

Compound Name1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine
PubChem CID91415324
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine
SMILESCC1=CC(C)C(C)=C(N2CCN(C)C2(C)C)C=C1
InChIInChI=1S/C16H26N2/c1-12-7-8-15(14(3)13(2)11-12)18-10-9-17(6)16(18,4)5/h7-8,11,13H,9-10H2,1-6H3
InChIKeyIQBLLGKAEFFKAZ-UHFFFAOYSA-N
XLogP3.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine?
The IUPAC name of 1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine (CID 91415324) is 1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine.
What is the SMILES notation for 1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine?
The canonical SMILES for 1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine is CC1=CC(C)C(C)=C(N2CCN(C)C2(C)C)C=C1.
What is the InChIKey of 1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine?
The InChIKey is IQBLLGKAEFFKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-7-8-15(14(3)13(2)11-12)18-10-9-17(6)16(18,4)5/h7-8,11,13H,9-10H2,1-6H3.
What are the key properties of 1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine?
1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine has a molecular weight of 246.40 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-3-(2,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine is sourced from PubChem (CID 91415324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).