dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate

C12H16Li2N2O2 — CID 134839985

IUPACdilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate
SMILES[CH2-]N(C)/C([O-])=N/CCc1ccc(OC)cc1.[Li+].[Li+]
InChIInChI=1S/C12H17N2O2.2Li/c1-14(2)12(15)13-9-8-10-4-6-11(16-3)7-5-10;;/h4-7H,1,8-9H2,2-3H3,(H,13,15);;/q-1;2*+1/p-1
InChIKeyXAWLIYFVATVTHV-UHFFFAOYSA-M
MW234.15 g/mol
LogP-5.31
Rot. Bonds4

About dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate

dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate (PubChem CID 134839985) has the molecular formula C12H16Li2N2O2 and a molecular weight of 234.15 g/mol. Its IUPAC name is dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate.

Molecular Properties

Compound Namedilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate
PubChem CID134839985
Molecular FormulaC12H16Li2N2O2
Molecular Weight234.15 g/mol
Exact Mass234.15
IUPAC Namedilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate
SMILES[CH2-]N(C)/C([O-])=N/CCc1ccc(OC)cc1.[Li+].[Li+]
InChIInChI=1S/C12H17N2O2.2Li/c1-14(2)12(15)13-9-8-10-4-6-11(16-3)7-5-10;;/h4-7H,1,8-9H2,2-3H3,(H,13,15);;/q-1;2*+1/p-1
InChIKeyXAWLIYFVATVTHV-UHFFFAOYSA-M
XLogP-5.31
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 5-5.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-Methoxyphenyl)ethyl]pyrrolidine
CID 17805318
1-(2-Isothiocyanatoethyl)-4-methoxybenzene
CID 2392401
N,N-Dimethyl-4-methoxyphenylethylamine
CID 150850
3-[4-[2-(Dimethylamino)ethyl]phenoxy-2,6-D2]-N,N-dimethyl-1-propanamine
CID 44407803
(2S)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 44456055
(2R)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 44456056
N-(2-(p-methoxyphenyl)ethyl)-N-ethyl-2-(1-pyrrolidinyl)ethylamine
CID 24849100
N-(4-methoxyphenethyl)-N-methyl-2-(piperidin-1-yl)ethanamine
CID 9882069
[2-(4-Methoxy-phenyl)-ethyl]-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 10587586
2-(4-(2-(dimethylamino)ethoxy)phenyl)-N,N-dimethylethanamine
CID 44407809
1-[2-(4-Methoxyphenyl)ethyl]-1-methylhydrazine
CID 46930057
1-Ethyl-1-[2-(4-methoxyphenyl)ethyl]hydrazine
CID 46930148

Frequently Asked Questions

What is the IUPAC name of dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate?
The IUPAC name of dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate (CID 134839985) is dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate.
What is the SMILES notation for dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate?
The canonical SMILES for dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate is [CH2-]N(C)/C([O-])=N/CCc1ccc(OC)cc1.[Li+].[Li+].
What is the InChIKey of dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate?
The InChIKey is XAWLIYFVATVTHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17N2O2.2Li/c1-14(2)12(15)13-9-8-10-4-6-11(16-3)7-5-10;;/h4-7H,1,8-9H2,2-3H3,(H,13,15);;/q-1;2*+1/p-1.
What are the key properties of dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate?
dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate has a molecular weight of 234.15 g/mol, XLogP of -5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;N-methanidyl-N'-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamimidate is sourced from PubChem (CID 134839985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).