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

C24H33N5O — CID 111855108

IUPAC2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine
SMILESC/N=C(/NCc1ccc(N2CCOC(C)C2)nc1)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C24H33N5O/c1-19-17-29(13-14-30-19)22-10-9-20(15-26-22)16-27-23(25-2)28-18-24(11-6-12-24)21-7-4-3-5-8-21/h3-5,7-10,15,19H,6,11-14,16-18H2,1-2H3,(H2,25,27,28)
InChIKeyQCUJDVJJYCQQJY-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.09
Rot. Bonds6

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

2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine (PubChem CID 111855108) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine
PubChem CID111855108
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine
SMILESC/N=C(/NCc1ccc(N2CCOC(C)C2)nc1)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C24H33N5O/c1-19-17-29(13-14-30-19)22-10-9-20(15-26-22)16-27-23(25-2)28-18-24(11-6-12-24)21-7-4-3-5-8-21/h3-5,7-10,15,19H,6,11-14,16-18H2,1-2H3,(H2,25,27,28)
InChIKeyQCUJDVJJYCQQJY-UHFFFAOYSA-N
XLogP3.09
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.09
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'}

Analyze 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine with MolForge

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Related Compounds

1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111855737
1-(2-ethyl-2-phenylbutyl)-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111694572
1-[(1-benzylpyrrolidin-2-yl)methyl]-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111583942
1-butyl-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111149881
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111892937
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111608301
N,N-dimethyl-4-[[[N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111873687
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111846633
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
1-[2-(4-tert-butylphenyl)ethyl]-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111892061
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111208176
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine (CID 111855108) is 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine is C/N=C(/NCc1ccc(N2CCOC(C)C2)nc1)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine?
The InChIKey is QCUJDVJJYCQQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-19-17-29(13-14-30-19)22-10-9-20(15-26-22)16-27-23(25-2)28-18-24(11-6-12-24)21-7-4-3-5-8-21/h3-5,7-10,15,19H,6,11-14,16-18H2,1-2H3,(H2,25,27,28).
What are the key properties of 2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine?
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine has a molecular weight of 407.56 g/mol, XLogP of 3.09, 6 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]-3-[(1-phenylcyclobutyl)methyl]guanidine is sourced from PubChem (CID 111855108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).