1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine

C16H22N4 — CID 105366349

IUPAC1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine
SMILESCc1cccc(N2C(N)=NCC23CCN2CCC3C2)c1
InChIInChI=1S/C16H22N4/c1-12-3-2-4-14(9-12)20-15(17)18-11-16(20)6-8-19-7-5-13(16)10-19/h2-4,9,13H,5-8,10-11H2,1H3,(H2,17,18)
InChIKeyWTMDIDTVBCRIHG-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.59
Rot. Bonds1

About 1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine

1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine (PubChem CID 105366349) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine
PubChem CID105366349
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine
SMILESCc1cccc(N2C(N)=NCC23CCN2CCC3C2)c1
InChIInChI=1S/C16H22N4/c1-12-3-2-4-14(9-12)20-15(17)18-11-16(20)6-8-19-7-5-13(16)10-19/h2-4,9,13H,5-8,10-11H2,1H3,(H2,17,18)
InChIKeyWTMDIDTVBCRIHG-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-methyl-1-(3-methylphenyl)-4H-imidazol-2-amine
CID 79504692
6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874965
1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
CID 79499811
5-methyl-1-(3-methylphenyl)-5-(4-methylphenyl)-4H-imidazol-2-amine
CID 79500241
1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505673
8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79504845
8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79500137
1-(3-methylphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79505067
1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine
CID 105366337
1-(3-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine
CID 79504838
1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
CID 79500130

Frequently Asked Questions

What is the IUPAC name of 1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine (CID 105366349) is 1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine is Cc1cccc(N2C(N)=NCC23CCN2CCC3C2)c1.
What is the InChIKey of 1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine?
The InChIKey is WTMDIDTVBCRIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-3-2-4-14(9-12)20-15(17)18-11-16(20)6-8-19-7-5-13(16)10-19/h2-4,9,13H,5-8,10-11H2,1H3,(H2,17,18).
What are the key properties of 1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine?
1'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-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'-(3-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 105366349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).