bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride

C20H30Cl2N4O2 — CID 175111806

IUPACbis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride
SMILESCC/N=C(\N)c1cccc(OC)c1.CC/N=C(\N)c1cccc(OC)c1.Cl.Cl
InChIInChI=1S/2C10H14N2O.2ClH/c2*1-3-12-10(11)8-5-4-6-9(7-8)13-2;;/h2*4-7H,3H2,1-2H3,(H2,11,12);2*1H
InChIKeyLMQOIIBIUYOBHS-UHFFFAOYSA-N
MW429.39 g/mol
LogP3.68
Rot. Bonds6

About bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride

bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride (PubChem CID 175111806) has the molecular formula C20H30Cl2N4O2 and a molecular weight of 429.39 g/mol. Its IUPAC name is bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride.

Molecular Properties

Compound Namebis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride
PubChem CID175111806
Molecular FormulaC20H30Cl2N4O2
Molecular Weight429.39 g/mol
Exact Mass428.17
IUPAC Namebis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride
SMILESCC/N=C(\N)c1cccc(OC)c1.CC/N=C(\N)c1cccc(OC)c1.Cl.Cl
InChIInChI=1S/2C10H14N2O.2ClH/c2*1-3-12-10(11)8-5-4-6-9(7-8)13-2;;/h2*4-7H,3H2,1-2H3,(H2,11,12);2*1H
InChIKeyLMQOIIBIUYOBHS-UHFFFAOYSA-N
XLogP3.68
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-amino-N'-ethyl-3-methoxybenzenecarboximidamide
CID 61362080
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide
CID 20706423
N-[1-(3-methoxyphenyl)propylidene]hydroxylamine
CID 159100892
(Z)-N-methoxy-1-(3-methoxyphenyl)propan-1-imine
CID 20642400
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
1-methoxy-3-pent-2-en-3-ylbenzene
CID 54347548
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
CID 122403772
methane;pentyl 3-methoxybenzoate
CID 175424879

Frequently Asked Questions

What is the IUPAC name of bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride?
The IUPAC name of bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride (CID 175111806) is bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride.
What is the SMILES notation for bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride?
The canonical SMILES for bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride is CC/N=C(\N)c1cccc(OC)c1.CC/N=C(\N)c1cccc(OC)c1.Cl.Cl.
What is the InChIKey of bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride?
The InChIKey is LMQOIIBIUYOBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14N2O.2ClH/c2*1-3-12-10(11)8-5-4-6-9(7-8)13-2;;/h2*4-7H,3H2,1-2H3,(H2,11,12);2*1H.
What are the key properties of bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride?
bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride has a molecular weight of 429.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride is sourced from PubChem (CID 175111806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).