1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine

C18H22N4 — CID 121396448

IUPAC1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine
SMILESNN1CCc2ccccc2C1(N)C1NCCc2ccccc21
InChIInChI=1S/C18H22N4/c19-18(16-8-4-2-6-14(16)10-12-22(18)20)17-15-7-3-1-5-13(15)9-11-21-17/h1-8,17,21H,9-12,19-20H2
InChIKeyFQHVMLOWACVQFN-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.42
Rot. Bonds1

About 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine

1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine (PubChem CID 121396448) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine
PubChem CID121396448
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine
SMILESNN1CCc2ccccc2C1(N)C1NCCc2ccccc21
InChIInChI=1S/C18H22N4/c19-18(16-8-4-2-6-14(16)10-12-22(18)20)17-15-7-3-1-5-13(15)9-11-21-17/h1-8,17,21H,9-12,19-20H2
InChIKeyFQHVMLOWACVQFN-UHFFFAOYSA-N
XLogP1.42
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine?
The IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine (CID 121396448) is 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine?
The canonical SMILES for 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine is NN1CCc2ccccc2C1(N)C1NCCc2ccccc21.
What is the InChIKey of 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine?
The InChIKey is FQHVMLOWACVQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c19-18(16-8-4-2-6-14(16)10-12-22(18)20)17-15-7-3-1-5-13(15)9-11-21-17/h1-8,17,21H,9-12,19-20H2.
What are the key properties of 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine?
1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine has a molecular weight of 294.40 g/mol, XLogP of 1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3,4-dihydroisoquinoline-1,2-diamine is sourced from PubChem (CID 121396448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).