1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine

C16H28N2 — CID 90908562

IUPAC1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine
SMILESCC1=CC(C)C(C)C(N2CCN(C)C2(C)C)C=C1
InChIInChI=1S/C16H28N2/c1-12-7-8-15(14(3)13(2)11-12)18-10-9-17(6)16(18,4)5/h7-8,11,13-15H,9-10H2,1-6H3
InChIKeyUSMVKXDLUKAGJR-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.13
Rot. Bonds1

About 1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine

1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine (PubChem CID 90908562) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine.

Molecular Properties

Compound Name1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine
PubChem CID90908562
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine
SMILESCC1=CC(C)C(C)C(N2CCN(C)C2(C)C)C=C1
InChIInChI=1S/C16H28N2/c1-12-7-8-15(14(3)13(2)11-12)18-10-9-17(6)16(18,4)5/h7-8,11,13-15H,9-10H2,1-6H3
InChIKeyUSMVKXDLUKAGJR-UHFFFAOYSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.13
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-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine?
The IUPAC name of 1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine (CID 90908562) is 1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine.
What is the SMILES notation for 1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine?
The canonical SMILES for 1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-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-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine?
The InChIKey is USMVKXDLUKAGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12-7-8-15(14(3)13(2)11-12)18-10-9-17(6)16(18,4)5/h7-8,11,13-15H,9-10H2,1-6H3.
What are the key properties of 1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine?
1,2,2-trimethyl-3-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine has a molecular weight of 248.41 g/mol, XLogP of 3.13, 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-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)imidazolidine is sourced from PubChem (CID 90908562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).