N'-methyl-2-(1-phenylethenylimino)propanimidamide

C12H15N3 — CID 123327776

IUPACN'-methyl-2-(1-phenylethenylimino)propanimidamide
SMILESC=C(/N=C(C)/C(N)=N/C)c1ccccc1
InChIInChI=1S/C12H15N3/c1-9(11-7-5-4-6-8-11)15-10(2)12(13)14-3/h4-8H,1H2,2-3H3,(H2,13,14)/b15-10+
InChIKeyOZMZJUJLSRYWAH-XNTDXEJSSA-N
MW201.27 g/mol
LogP2.11
Rot. Bonds3

About N'-methyl-2-(1-phenylethenylimino)propanimidamide

N'-methyl-2-(1-phenylethenylimino)propanimidamide (PubChem CID 123327776) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-methyl-2-(1-phenylethenylimino)propanimidamide.

Molecular Properties

Compound NameN'-methyl-2-(1-phenylethenylimino)propanimidamide
PubChem CID123327776
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN'-methyl-2-(1-phenylethenylimino)propanimidamide
SMILESC=C(/N=C(C)/C(N)=N/C)c1ccccc1
InChIInChI=1S/C12H15N3/c1-9(11-7-5-4-6-8-11)15-10(2)12(13)14-3/h4-8H,1H2,2-3H3,(H2,13,14)/b15-10+
InChIKeyOZMZJUJLSRYWAH-XNTDXEJSSA-N
XLogP2.11
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(1-phenylethenylimino)propanimidamide?
The IUPAC name of N'-methyl-2-(1-phenylethenylimino)propanimidamide (CID 123327776) is N'-methyl-2-(1-phenylethenylimino)propanimidamide.
What is the SMILES notation for N'-methyl-2-(1-phenylethenylimino)propanimidamide?
The canonical SMILES for N'-methyl-2-(1-phenylethenylimino)propanimidamide is C=C(/N=C(C)/C(N)=N/C)c1ccccc1.
What is the InChIKey of N'-methyl-2-(1-phenylethenylimino)propanimidamide?
The InChIKey is OZMZJUJLSRYWAH-XNTDXEJSSA-N. The full InChI is InChI=1S/C12H15N3/c1-9(11-7-5-4-6-8-11)15-10(2)12(13)14-3/h4-8H,1H2,2-3H3,(H2,13,14)/b15-10+.
What are the key properties of N'-methyl-2-(1-phenylethenylimino)propanimidamide?
N'-methyl-2-(1-phenylethenylimino)propanimidamide has a molecular weight of 201.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(1-phenylethenylimino)propanimidamide is sourced from PubChem (CID 123327776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).