5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide

C13H20N4O — CID 113321204

IUPAC5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CCCCO2)cn1
InChIInChI=1S/C13H20N4O/c1-17(9-11-4-2-3-7-18-11)10-5-6-12(13(14)15)16-8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H3,14,15)
InChIKeyAHJLMHDYLXTZNM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.37
Rot. Bonds4

About 5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide

5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide (PubChem CID 113321204) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide
PubChem CID113321204
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CCCCO2)cn1
InChIInChI=1S/C13H20N4O/c1-17(9-11-4-2-3-7-18-11)10-5-6-12(13(14)15)16-8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H3,14,15)
InChIKeyAHJLMHDYLXTZNM-UHFFFAOYSA-N
XLogP1.37
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
(1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938475
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513387
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777
5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 113321216
3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide
CID 115489551
4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55057250
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide
CID 55157630
2-(oxan-2-ylmethoxy)pyrimidine-4-carboximidamide
CID 107550899

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide?
The IUPAC name of 5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide (CID 113321204) is 5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide?
The canonical SMILES for 5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(N(C)CC2CCCCO2)cn1.
What is the InChIKey of 5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide?
The InChIKey is AHJLMHDYLXTZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17(9-11-4-2-3-7-18-11)10-5-6-12(13(14)15)16-8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H3,14,15).
What are the key properties of 5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide?
5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 113321204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).