N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine

C12H16N4 — CID 114401771

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESc1cc2c(c(NC3=NCCN3)c1)CCNC2
InChIInChI=1S/C12H16N4/c1-2-9-8-13-5-4-10(9)11(3-1)16-12-14-6-7-15-12/h1-3,13H,4-8H2,(H2,14,15,16)
InChIKeyHTQLJVPUDQUAEL-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.70
Rot. Bonds1

About N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 114401771) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID114401771
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESc1cc2c(c(NC3=NCCN3)c1)CCNC2
InChIInChI=1S/C12H16N4/c1-2-9-8-13-5-4-10(9)11(3-1)16-12-14-6-7-15-12/h1-3,13H,4-8H2,(H2,14,15,16)
InChIKeyHTQLJVPUDQUAEL-UHFFFAOYSA-N
XLogP0.70
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 114401771) is N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine is c1cc2c(c(NC3=NCCN3)c1)CCNC2.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is HTQLJVPUDQUAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-9-8-13-5-4-10(9)11(3-1)16-12-14-6-7-15-12/h1-3,13H,4-8H2,(H2,14,15,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 216.29 g/mol, XLogP of 0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 114401771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).