2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline

C19H26N2 — CID 144724097

IUPAC2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline
SMILESC1=CC2=C(CC1)CCN(CN1CCC3=C(C=CCC3)C1)C2
InChIInChI=1S/C19H26N2/c1-3-7-18-13-20(11-9-16(18)5-1)15-21-12-10-17-6-2-4-8-19(17)14-21/h3-4,7-8H,1-2,5-6,9-15H2
InChIKeySOVIACITMRUIQW-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.65
Rot. Bonds2

About 2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline

2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline (PubChem CID 144724097) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline
PubChem CID144724097
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline
SMILESC1=CC2=C(CC1)CCN(CN1CCC3=C(C=CCC3)C1)C2
InChIInChI=1S/C19H26N2/c1-3-7-18-13-20(11-9-16(18)5-1)15-21-12-10-17-6-2-4-8-19(17)14-21/h3-4,7-8H,1-2,5-6,9-15H2
InChIKeySOVIACITMRUIQW-UHFFFAOYSA-N
XLogP3.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S)-2-hydroxy-3-(3,4,5,6-tetrahydro-1H-isoquinolin-2-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 139297385
4-hydroxysulfanyl-N-methylaniline;4-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)benzaldehyde
CID 144711736
N-[4-[ethyl(methyl)amino]sulfanylphenyl]-4-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 144711618
ethane;N-[4-[ethyl(methyl)amino]sulfanylphenyl]-4-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 144711617
1,2,3,4,5,6-hexahydroisoquinoline
CID 22152420
ethane;1-(1,3,4,5-tetrahydroisoindol-2-yl)ethanone
CID 145255312
N-[5-(2-hydroxyethylsulfamoyl)cyclohexa-1,3-dien-1-yl]-4-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)cyclohexa-1,3-diene-1-carboxamide
CID 123410942
8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 156837988
3,4,5,6,9,10-hexahydrophenanthrene
CID 123501640
1,2,3,4,5,6,9,10-octahydrophenanthrene
CID 148687611
1-amino-3-(6-methyl-1,3,4,5-tetrahydrocyclohepta[c]pyridin-2-yl)propan-2-ol
CID 139297407
ethane;(4E,5Z)-4-ethylidene-3-(1,3,4,5-tetrahydroisoindol-2-yl)hepta-1,5-dien-2-amine
CID 177167069

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline?
The IUPAC name of 2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline (CID 144724097) is 2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline.
What is the SMILES notation for 2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline?
The canonical SMILES for 2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline is C1=CC2=C(CC1)CCN(CN1CCC3=C(C=CCC3)C1)C2.
What is the InChIKey of 2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline?
The InChIKey is SOVIACITMRUIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-7-18-13-20(11-9-16(18)5-1)15-21-12-10-17-6-2-4-8-19(17)14-21/h3-4,7-8H,1-2,5-6,9-15H2.
What are the key properties of 2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline?
2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline has a molecular weight of 282.43 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline is sourced from PubChem (CID 144724097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).