N'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide

C7H13N3 — CID 67559797

IUPACN'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide
SMILESCC1=C(/N=C/N)CCNC1
InChIInChI=1S/C7H13N3/c1-6-4-9-3-2-7(6)10-5-8/h5,9H,2-4H2,1H3,(H2,8,10)
InChIKeyANJGWOYXJINPSI-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.24
Rot. Bonds1

About N'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide

N'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide (PubChem CID 67559797) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide.

Molecular Properties

Compound NameN'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide
PubChem CID67559797
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide
SMILESCC1=C(/N=C/N)CCNC1
InChIInChI=1S/C7H13N3/c1-6-4-9-3-2-7(6)10-5-8/h5,9H,2-4H2,1H3,(H2,8,10)
InChIKeyANJGWOYXJINPSI-UHFFFAOYSA-N
XLogP0.24
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
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'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide?
The IUPAC name of N'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide (CID 67559797) is N'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide.
What is the SMILES notation for N'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide?
The canonical SMILES for N'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide is CC1=C(/N=C/N)CCNC1.
What is the InChIKey of N'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide?
The InChIKey is ANJGWOYXJINPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-4-9-3-2-7(6)10-5-8/h5,9H,2-4H2,1H3,(H2,8,10).
What are the key properties of N'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide?
N'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanimidamide is sourced from PubChem (CID 67559797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).