N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide

C11H18N4O — CID 143987774

IUPACN'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide
SMILESCOc1cc(C)ccc1N(CN)/N=C(/C)N
InChIInChI=1S/C11H18N4O/c1-8-4-5-10(11(6-8)16-3)15(7-12)14-9(2)13/h4-6H,7,12H2,1-3H3,(H2,13,14)
InChIKeyWOTSDVDRLXSSDR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.02
Rot. Bonds4

About N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide

N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide (PubChem CID 143987774) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide.

Molecular Properties

Compound NameN'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide
PubChem CID143987774
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide
SMILESCOc1cc(C)ccc1N(CN)/N=C(/C)N
InChIInChI=1S/C11H18N4O/c1-8-4-5-10(11(6-8)16-3)15(7-12)14-9(2)13/h4-6H,7,12H2,1-3H3,(H2,13,14)
InChIKeyWOTSDVDRLXSSDR-UHFFFAOYSA-N
XLogP1.02
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide?
The IUPAC name of N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide (CID 143987774) is N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide.
What is the SMILES notation for N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide?
The canonical SMILES for N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide is COc1cc(C)ccc1N(CN)/N=C(/C)N.
What is the InChIKey of N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide?
The InChIKey is WOTSDVDRLXSSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-4-5-10(11(6-8)16-3)15(7-12)14-9(2)13/h4-6H,7,12H2,1-3H3,(H2,13,14).
What are the key properties of N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide?
N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide has a molecular weight of 222.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-(aminomethyl)-2-methoxy-4-methylanilino]ethanimidamide is sourced from PubChem (CID 143987774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).