4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide

C14H22N4O — CID 63882050

IUPAC4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)CC2CCCOC2)ccn1
InChIInChI=1S/C14H22N4O/c1-18(9-12-3-2-6-19-10-12)8-11-4-5-17-13(7-11)14(15)16/h4-5,7,12H,2-3,6,8-10H2,1H3,(H3,15,16)
InChIKeyBDLKOJLMXPVABD-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.22
Rot. Bonds5

About 4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide

4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide (PubChem CID 63882050) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
PubChem CID63882050
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)CC2CCCOC2)ccn1
InChIInChI=1S/C14H22N4O/c1-18(9-12-3-2-6-19-10-12)8-11-4-5-17-13(7-11)14(15)16/h4-5,7,12H,2-3,6,8-10H2,1H3,(H3,15,16)
InChIKeyBDLKOJLMXPVABD-UHFFFAOYSA-N
XLogP1.22
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.22
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

2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 106790873
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040
5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711867
2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711689
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide
CID 62924606
4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 63705707
4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 63880680
4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 61446374
4-[[cyclobutylmethyl(methyl)amino]methyl]pyridin-2-amine
CID 62861916
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide (CID 63882050) is 4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CN(C)CC2CCCOC2)ccn1.
What is the InChIKey of 4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide?
The InChIKey is BDLKOJLMXPVABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18(9-12-3-2-6-19-10-12)8-11-4-5-17-13(7-11)14(15)16/h4-5,7,12H,2-3,6,8-10H2,1H3,(H3,15,16).
What are the key properties of 4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide?
4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63882050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).