2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine

C11H18N2 — CID 68642018

IUPAC2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESCC1CC=CC=C1N1CCNC1C
InChIInChI=1S/C11H18N2/c1-9-5-3-4-6-11(9)13-8-7-12-10(13)2/h3-4,6,9-10,12H,5,7-8H2,1-2H3
InChIKeyYHXZBFMYQKADCW-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.72
Rot. Bonds1

About 2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine

2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine (PubChem CID 68642018) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine.

Molecular Properties

Compound Name2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine
PubChem CID68642018
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESCC1CC=CC=C1N1CCNC1C
InChIInChI=1S/C11H18N2/c1-9-5-3-4-6-11(9)13-8-7-12-10(13)2/h3-4,6,9-10,12H,5,7-8H2,1-2H3
InChIKeyYHXZBFMYQKADCW-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine?
The IUPAC name of 2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine (CID 68642018) is 2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine.
What is the SMILES notation for 2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine?
The canonical SMILES for 2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine is CC1CC=CC=C1N1CCNC1C.
What is the InChIKey of 2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine?
The InChIKey is YHXZBFMYQKADCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-5-3-4-6-11(9)13-8-7-12-10(13)2/h3-4,6,9-10,12H,5,7-8H2,1-2H3.
What are the key properties of 2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine?
2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine has a molecular weight of 178.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)imidazolidine is sourced from PubChem (CID 68642018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).