dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide

C37H42Li2N4 — CID 59566060

IUPACdilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide
SMILES[Li+].[Li+].c1ccc(C(CN2CCc3ccccc3C2)[N-]CCC[N-][C@H](CN2CCc3ccccc3C2)c2ccccc2)cc1
InChIInChI=1S/C37H42N4.2Li/c1-3-14-32(15-4-1)36(28-40-24-20-30-12-7-9-18-34(30)26-40)38-22-11-23-39-37(33-16-5-2-6-17-33)29-41-25-21-31-13-8-10-19-35(31)27-41;;/h1-10,12-19,36-37H,11,20-29H2;;/q-2;2*+1/t36-,37?;;/m1../s1
InChIKeyCYEFZAQPLMEHBJ-OCZYNVBRSA-N
MW556.65 g/mol
LogP1.73
Rot. Bonds12

About dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide

dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide (PubChem CID 59566060) has the molecular formula C37H42Li2N4 and a molecular weight of 556.65 g/mol. Its IUPAC name is dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide.

Molecular Properties

Compound Namedilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide
PubChem CID59566060
Molecular FormulaC37H42Li2N4
Molecular Weight556.65 g/mol
Exact Mass556.37
IUPAC Namedilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide
SMILES[Li+].[Li+].c1ccc(C(CN2CCc3ccccc3C2)[N-]CCC[N-][C@H](CN2CCc3ccccc3C2)c2ccccc2)cc1
InChIInChI=1S/C37H42N4.2Li/c1-3-14-32(15-4-1)36(28-40-24-20-30-12-7-9-18-34(30)26-40)38-22-11-23-39-37(33-16-5-2-6-17-33)29-41-25-21-31-13-8-10-19-35(31)27-41;;/h1-10,12-19,36-37H,11,20-29H2;;/q-2;2*+1/t36-,37?;;/m1../s1
InChIKeyCYEFZAQPLMEHBJ-OCZYNVBRSA-N
XLogP1.73
TPSA34.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.65
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide with MolForge

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Launch Full Analysis

Related Compounds

2-(2-chloro-2-phenylethyl)-3,4-dihydro-1H-isoquinoline
CID 82214226
(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1-phenylethanamine
CID 101182941
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoic acid
CID 93107764
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
(1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol
CID 39389983
2-[2-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82214268
ethane;2-(2-methylhexyl)-3,4-dihydro-1H-isoquinoline
CID 158221381
1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine
CID 60854585
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine
CID 142598065
(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanenitrile
CID 39161361
3-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-2-phenylpropanal
CID 134334488

Frequently Asked Questions

What is the IUPAC name of dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide?
The IUPAC name of dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide (CID 59566060) is dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide.
What is the SMILES notation for dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide?
The canonical SMILES for dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide is [Li+].[Li+].c1ccc(C(CN2CCc3ccccc3C2)[N-]CCC[N-][C@H](CN2CCc3ccccc3C2)c2ccccc2)cc1.
What is the InChIKey of dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide?
The InChIKey is CYEFZAQPLMEHBJ-OCZYNVBRSA-N. The full InChI is InChI=1S/C37H42N4.2Li/c1-3-14-32(15-4-1)36(28-40-24-20-30-12-7-9-18-34(30)26-40)38-22-11-23-39-37(33-16-5-2-6-17-33)29-41-25-21-31-13-8-10-19-35(31)27-41;;/h1-10,12-19,36-37H,11,20-29H2;;/q-2;2*+1/t36-,37?;;/m1../s1.
What are the key properties of dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide?
dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide has a molecular weight of 556.65 g/mol, XLogP of 1.73, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethyl]azanidylpropyl]azanide is sourced from PubChem (CID 59566060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).