dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine)

C32H54Li2N4 — CID 135049308

IUPACdilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine)
SMILESCCN(CC)Cc1[c-]c(CN(CC)CC)ccc1.CCN(CC)Cc1[c-]c(CN(CC)CC)ccc1.[Li+].[Li+]
InChIInChI=1S/2C16H27N2.2Li/c2*1-5-17(6-2)13-15-10-9-11-16(12-15)14-18(7-3)8-4;;/h2*9-11H,5-8,13-14H2,1-4H3;;/q2*-1;2*+1
InChIKeyJRMUFXQHSYVWRN-UHFFFAOYSA-N
MW508.69 g/mol
LogP0.35
Rot. Bonds16

About dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine)

dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine) (PubChem CID 135049308) has the molecular formula C32H54Li2N4 and a molecular weight of 508.69 g/mol. Its IUPAC name is dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine).

Molecular Properties

Compound Namedilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine)
PubChem CID135049308
Molecular FormulaC32H54Li2N4
Molecular Weight508.69 g/mol
Exact Mass508.47
IUPAC Namedilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine)
SMILESCCN(CC)Cc1[c-]c(CN(CC)CC)ccc1.CCN(CC)Cc1[c-]c(CN(CC)CC)ccc1.[Li+].[Li+]
InChIInChI=1S/2C16H27N2.2Li/c2*1-5-17(6-2)13-15-10-9-11-16(12-15)14-18(7-3)8-4;;/h2*9-11H,5-8,13-14H2,1-4H3;;/q2*-1;2*+1
InChIKeyJRMUFXQHSYVWRN-UHFFFAOYSA-N
XLogP0.35
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.69
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(N,N-dimethyl-1-phenylmethanamine);yttrium(3+)
CID 11504131
tris(N,N-dimethyl-1-phenylmethanamine);scandium(3+)
CID 21399620
tris(N,N-dimethyl-1-phenylmethanamine);erbium(3+)
CID 21399663
carbanide;bis(N,N-dimethyl-1-phenylmethanamine);manganese(3+)
CID 10893114
tris(N,N-dimethyl-1-phenylmethanamine);lutetium(3+)
CID 134898671
tetrasilver;tetrakis(N,N-dimethyl-1-phenylmethanamine)
CID 134901367
tris(N,N-dimethyl-1-phenylmethanamine);ytterbium(3+)
CID 134902787
dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine)
CID 176440301
magnesium bis(N,N-dimethyl-1-phenylmethanamine)
CID 15763637
chromium(2+);bis(N-(phenylmethyl)-N-propylpropan-1-amine)
CID 21399618
chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine)
CID 21399621
tris(N,N-dimethyl-1-phenylmethanamine);neodymium(3+)
CID 21399624

Frequently Asked Questions

What is the IUPAC name of dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine)?
The IUPAC name of dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine) (CID 135049308) is dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine).
What is the SMILES notation for dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine)?
The canonical SMILES for dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine) is CCN(CC)Cc1[c-]c(CN(CC)CC)ccc1.CCN(CC)Cc1[c-]c(CN(CC)CC)ccc1.[Li+].[Li+].
What is the InChIKey of dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine)?
The InChIKey is JRMUFXQHSYVWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H27N2.2Li/c2*1-5-17(6-2)13-15-10-9-11-16(12-15)14-18(7-3)8-4;;/h2*9-11H,5-8,13-14H2,1-4H3;;/q2*-1;2*+1.
What are the key properties of dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine)?
dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine) has a molecular weight of 508.69 g/mol, XLogP of 0.35, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine) is sourced from PubChem (CID 135049308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).