2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine

C15H23N5O — CID 110979717

IUPAC2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C15H23N5O/c1-3-6-18-15(16-2)19-12-13-5-4-7-17-14(13)20-8-10-21-11-9-20/h3-5,7H,1,6,8-12H2,2H3,(H2,16,18,19)
InChIKeyGNFHIEMDFNFROH-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.77
Rot. Bonds5

About 2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine

2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine (PubChem CID 110979717) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine
PubChem CID110979717
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C15H23N5O/c1-3-6-18-15(16-2)19-12-13-5-4-7-17-14(13)20-8-10-21-11-9-20/h3-5,7H,1,6,8-12H2,2H3,(H2,16,18,19)
InChIKeyGNFHIEMDFNFROH-UHFFFAOYSA-N
XLogP0.77
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.77
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981042
1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 75419719
1-[(3-chlorophenyl)methyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111177163
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982336
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111230148
2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-phenoxyethyl)guanidine
CID 111004615
2-methyl-1-(5-methylhexyl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111580276
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111280005
2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 119116299
tert-butyl N-[2-[[N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883610
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111603707
1-(2-ethylhexyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111128172

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine?
The IUPAC name of 2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine (CID 110979717) is 2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine?
The canonical SMILES for 2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCc1cccnc1N1CCOCC1.
What is the InChIKey of 2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine?
The InChIKey is GNFHIEMDFNFROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-6-18-15(16-2)19-12-13-5-4-7-17-14(13)20-8-10-21-11-9-20/h3-5,7H,1,6,8-12H2,2H3,(H2,16,18,19).
What are the key properties of 2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine?
2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine has a molecular weight of 289.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 110979717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).