N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde

C16H18N2O2 — CID 143517861

IUPACN'-methoxybenzenecarboximidamide;3-methylbenzaldehyde
SMILESCO/N=C(\N)c1ccccc1.Cc1cccc(C=O)c1
InChIInChI=1S/C8H10N2O.C8H8O/c1-11-10-8(9)7-5-3-2-4-6-7;1-7-3-2-4-8(5-7)6-9/h2-6H,1H3,(H2,9,10);2-6H,1H3
InChIKeySNTCGRGVHMCPKQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.76
Rot. Bonds3

About N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde

N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde (PubChem CID 143517861) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde.

Molecular Properties

Compound NameN'-methoxybenzenecarboximidamide;3-methylbenzaldehyde
PubChem CID143517861
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN'-methoxybenzenecarboximidamide;3-methylbenzaldehyde
SMILESCO/N=C(\N)c1ccccc1.Cc1cccc(C=O)c1
InChIInChI=1S/C8H10N2O.C8H8O/c1-11-10-8(9)7-5-3-2-4-6-7;1-7-3-2-4-8(5-7)6-9/h2-6H,1H3,(H2,9,10);2-6H,1H3
InChIKeySNTCGRGVHMCPKQ-UHFFFAOYSA-N
XLogP2.76
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde?
The IUPAC name of N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde (CID 143517861) is N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde.
What is the SMILES notation for N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde?
The canonical SMILES for N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde is CO/N=C(\N)c1ccccc1.Cc1cccc(C=O)c1.
What is the InChIKey of N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde?
The InChIKey is SNTCGRGVHMCPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C8H8O/c1-11-10-8(9)7-5-3-2-4-6-7;1-7-3-2-4-8(5-7)6-9/h2-6H,1H3,(H2,9,10);2-6H,1H3.
What are the key properties of N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde?
N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde has a molecular weight of 270.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxybenzenecarboximidamide;3-methylbenzaldehyde is sourced from PubChem (CID 143517861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).