N'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide

C7H11N3 — CID 123844088

IUPACN'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide
SMILESCC1C=NC(N=CN)=CC1
InChIInChI=1S/C7H11N3/c1-6-2-3-7(9-4-6)10-5-8/h3-6H,2H2,1H3,(H2,8,10)
InChIKeyHMHZPEZYOIQYFS-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.93
Rot. Bonds1

About N'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide

N'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide (PubChem CID 123844088) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide.

Molecular Properties

Compound NameN'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide
PubChem CID123844088
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide
SMILESCC1C=NC(N=CN)=CC1
InChIInChI=1S/C7H11N3/c1-6-2-3-7(9-4-6)10-5-8/h3-6H,2H2,1H3,(H2,8,10)
InChIKeyHMHZPEZYOIQYFS-UHFFFAOYSA-N
XLogP0.93
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.93
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'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide?
The IUPAC name of N'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide (CID 123844088) is N'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide.
What is the SMILES notation for N'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide?
The canonical SMILES for N'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide is CC1C=NC(N=CN)=CC1.
What is the InChIKey of N'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide?
The InChIKey is HMHZPEZYOIQYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-2-3-7(9-4-6)10-5-8/h3-6H,2H2,1H3,(H2,8,10).
What are the key properties of N'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide?
N'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide has a molecular weight of 137.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-3,4-dihydropyridin-6-yl)methanimidamide is sourced from PubChem (CID 123844088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).