4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine

C13H22N4 — CID 55011902

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine
SMILESCc1nc(N2CCC3CCCCC3C2)c(N)[nH]1
InChIInChI=1S/C13H22N4/c1-9-15-12(14)13(16-9)17-7-6-10-4-2-3-5-11(10)8-17/h10-11H,2-8,14H2,1H3,(H,15,16)
InChIKeyQDHVRFFFPAMLIQ-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.32
Rot. Bonds1

About 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine (PubChem CID 55011902) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine
PubChem CID55011902
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine
SMILESCc1nc(N2CCC3CCCCC3C2)c(N)[nH]1
InChIInChI=1S/C13H22N4/c1-9-15-12(14)13(16-9)17-7-6-10-4-2-3-5-11(10)8-17/h10-11H,2-8,14H2,1H3,(H,15,16)
InChIKeyQDHVRFFFPAMLIQ-UHFFFAOYSA-N
XLogP2.32
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine (CID 55011902) is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine is Cc1nc(N2CCC3CCCCC3C2)c(N)[nH]1.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine?
The InChIKey is QDHVRFFFPAMLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-15-12(14)13(16-9)17-7-6-10-4-2-3-5-11(10)8-17/h10-11H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine?
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine has a molecular weight of 234.35 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine is sourced from PubChem (CID 55011902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).