2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine

C13H21N5O — CID 110915666

IUPAC2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
SMILESC/N=C(\N)NCc1ccc(N2CCOC(C)C2)nc1
InChIInChI=1S/C13H21N5O/c1-10-9-18(5-6-19-10)12-4-3-11(7-16-12)8-17-13(14)15-2/h3-4,7,10H,5-6,8-9H2,1-2H3,(H3,14,15,17)
InChIKeyRKOPPJNPZYUHGF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.34
Rot. Bonds3

About 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine

2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine (PubChem CID 110915666) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
PubChem CID110915666
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
SMILESC/N=C(\N)NCc1ccc(N2CCOC(C)C2)nc1
InChIInChI=1S/C13H21N5O/c1-10-9-18(5-6-19-10)12-4-3-11(7-16-12)8-17-13(14)15-2/h3-4,7,10H,5-6,8-9H2,1-2H3,(H3,14,15,17)
InChIKeyRKOPPJNPZYUHGF-UHFFFAOYSA-N
XLogP0.34
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.34
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

N',4-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide
CID 111209772
1-butyl-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111149881
N',2,2,3,3-pentamethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]azetidine-1-carboximidamide
CID 109453414
N',2,2,3,3-pentamethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453413
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111608301
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111846633
N,N-dimethyl-4-[[[N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111873687
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111204927
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111892937
1-[2-(4-tert-butylphenyl)ethyl]-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111892061
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide
CID 47085928

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine (CID 110915666) is 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine is C/N=C(\N)NCc1ccc(N2CCOC(C)C2)nc1.
What is the InChIKey of 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?
The InChIKey is RKOPPJNPZYUHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-9-18(5-6-19-10)12-4-3-11(7-16-12)8-17-13(14)15-2/h3-4,7,10H,5-6,8-9H2,1-2H3,(H3,14,15,17).
What are the key properties of 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine?
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine has a molecular weight of 263.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 110915666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).