1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine

C13H22N2 — CID 143655632

IUPAC1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine
SMILESCC(C)(CC1=CCCC=C1)N1CCNC1
InChIInChI=1S/C13H22N2/c1-13(2,15-9-8-14-11-15)10-12-6-4-3-5-7-12/h4,6-7,14H,3,5,8-11H2,1-2H3
InChIKeyYRODWWKUHTTWTN-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.29
Rot. Bonds3

About 1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine

1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine (PubChem CID 143655632) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine.

Molecular Properties

Compound Name1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine
PubChem CID143655632
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine
SMILESCC(C)(CC1=CCCC=C1)N1CCNC1
InChIInChI=1S/C13H22N2/c1-13(2,15-9-8-14-11-15)10-12-6-4-3-5-7-12/h4,6-7,14H,3,5,8-11H2,1-2H3
InChIKeyYRODWWKUHTTWTN-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine?
The IUPAC name of 1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine (CID 143655632) is 1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine.
What is the SMILES notation for 1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine?
The canonical SMILES for 1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine is CC(C)(CC1=CCCC=C1)N1CCNC1.
What is the InChIKey of 1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine?
The InChIKey is YRODWWKUHTTWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2,15-9-8-14-11-15)10-12-6-4-3-5-7-12/h4,6-7,14H,3,5,8-11H2,1-2H3.
What are the key properties of 1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine?
1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine has a molecular weight of 206.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine is sourced from PubChem (CID 143655632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).