1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline

C28H40N2 — CID 20976200

IUPAC1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2CCCCCCCCCCC1NCCc2ccccc21
InChIInChI=1S/C28H40N2/c1(3-5-7-17-27-25-15-11-9-13-23(25)19-21-29-27)2-4-6-8-18-28-26-16-12-10-14-24(26)20-22-30-28/h9-16,27-30H,1-8,17-22H2
InChIKeyNQRCZYBYXQPAMW-UHFFFAOYSA-N
MW404.64 g/mol
LogP6.66
Rot. Bonds11

About 1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline

1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 20976200) has the molecular formula C28H40N2 and a molecular weight of 404.64 g/mol. Its IUPAC name is 1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID20976200
Molecular FormulaC28H40N2
Molecular Weight404.64 g/mol
Exact Mass404.32
IUPAC Name1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2CCCCCCCCCCC1NCCc2ccccc21
InChIInChI=1S/C28H40N2/c1(3-5-7-17-27-25-15-11-9-13-23(25)19-21-29-27)2-4-6-8-18-28-26-16-12-10-14-24(26)20-22-30-28/h9-16,27-30H,1-8,17-22H2
InChIKeyNQRCZYBYXQPAMW-UHFFFAOYSA-N
XLogP6.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 12743117
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
CID 115104867
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 64905082
(1S)-1-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 92859849
N,N-dimethyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine
CID 92983298
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
(1R)-1-but-2-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 118274759
4-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]morpholine
CID 82048427
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 112507559
1-[(2,5-dimethylpyrrol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 114284715

Frequently Asked Questions

What is the IUPAC name of 1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline (CID 20976200) is 1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CCNC2CCCCCCCCCCC1NCCc2ccccc21.
What is the InChIKey of 1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NQRCZYBYXQPAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2/c1(3-5-7-17-27-25-15-11-9-13-23(25)19-21-29-27)2-4-6-8-18-28-26-16-12-10-14-24(26)20-22-30-28/h9-16,27-30H,1-8,17-22H2.
What are the key properties of 1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline?
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 404.64 g/mol, XLogP of 6.66, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 20976200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).