4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline

C10H15N3O — CID 166139659

IUPAC4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline
SMILES[H]/N=C/c1cc(CN)cc(OC)c1NC
InChIInChI=1S/C10H15N3O/c1-13-10-8(6-12)3-7(5-11)4-9(10)14-2/h3-4,6,12-13H,5,11H2,1-2H3/b12-6+
InChIKeyVSHAFJBCDDYKLB-WUXMJOGZSA-N
MW193.25 g/mol
LogP1.19
Rot. Bonds4

About 4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline

4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline (PubChem CID 166139659) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline
PubChem CID166139659
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline
SMILES[H]/N=C/c1cc(CN)cc(OC)c1NC
InChIInChI=1S/C10H15N3O/c1-13-10-8(6-12)3-7(5-11)4-9(10)14-2/h3-4,6,12-13H,5,11H2,1-2H3/b12-6+
InChIKeyVSHAFJBCDDYKLB-WUXMJOGZSA-N
XLogP1.19
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline (CID 166139659) is 4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline is [H]/N=C/c1cc(CN)cc(OC)c1NC.
What is the InChIKey of 4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline?
The InChIKey is VSHAFJBCDDYKLB-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-10-8(6-12)3-7(5-11)4-9(10)14-2/h3-4,6,12-13H,5,11H2,1-2H3/b12-6+.
What are the key properties of 4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline?
4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline has a molecular weight of 193.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline is sourced from PubChem (CID 166139659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).