3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

C18H20N4 — CID 2290378

IUPAC3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILESN#Cc1c(NCCN)nc(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C18H20N4/c19-10-11-21-18-16(12-20)14-8-4-5-9-15(14)17(22-18)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11,19H2,(H,21,22)
InChIKeyOVJYZJYKOQNSSJ-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.87
Rot. Bonds4

About 3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (PubChem CID 2290378) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.

Molecular Properties

Compound Name3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
PubChem CID2290378
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
SMILESN#Cc1c(NCCN)nc(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C18H20N4/c19-10-11-21-18-16(12-20)14-8-4-5-9-15(14)17(22-18)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11,19H2,(H,21,22)
InChIKeyOVJYZJYKOQNSSJ-UHFFFAOYSA-N
XLogP2.87
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The IUPAC name of 3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CID 2290378) is 3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
What is the SMILES notation for 3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The canonical SMILES for 3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is N#Cc1c(NCCN)nc(-c2ccccc2)c2c1CCCC2.
What is the InChIKey of 3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The InChIKey is OVJYZJYKOQNSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c19-10-11-21-18-16(12-20)14-8-4-5-9-15(14)17(22-18)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11,19H2,(H,21,22).
What are the key properties of 3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has a molecular weight of 292.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is sourced from PubChem (CID 2290378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).