1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine

C16H22N4 — CID 79500627

IUPAC1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
SMILESCc1ccccc1N1C(N)=NCC12CN1CCC2CC1
InChIInChI=1S/C16H22N4/c1-12-4-2-3-5-14(12)20-15(17)18-10-16(20)11-19-8-6-13(16)7-9-19/h2-5,13H,6-11H2,1H3,(H2,17,18)
InChIKeyRMQGIBMBHJQIQF-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.59
Rot. Bonds1

About 1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine

1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine (PubChem CID 79500627) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
PubChem CID79500627
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
SMILESCc1ccccc1N1C(N)=NCC12CN1CCC2CC1
InChIInChI=1S/C16H22N4/c1-12-4-2-3-5-14(12)20-15(17)18-10-16(20)11-19-8-6-13(16)7-9-19/h2-5,13H,6-11H2,1H3,(H2,17,18)
InChIKeyRMQGIBMBHJQIQF-UHFFFAOYSA-N
XLogP1.59
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(2-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine
CID 105366344
5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine
CID 79505259
1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
CID 79499811
6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 82720028
7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505403
1-(2-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine
CID 79505397
7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79499043
1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505398
2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 106824919
5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
CID 79500616
1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine
CID 105366349
7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79947415

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine (CID 79500627) is 1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine is Cc1ccccc1N1C(N)=NCC12CN1CCC2CC1.
What is the InChIKey of 1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine?
The InChIKey is RMQGIBMBHJQIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-4-2-3-5-14(12)20-15(17)18-10-16(20)11-19-8-6-13(16)7-9-19/h2-5,13H,6-11H2,1H3,(H2,17,18).
What are the key properties of 1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine?
1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine has a molecular weight of 270.38 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79500627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).