1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine

C19H30N4O — CID 109499360

IUPAC1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCc1ccccc1N1CCOCC1
InChIInChI=1S/C19H30N4O/c1-4-5-8-11-22(3)19(20-2)21-16-17-9-6-7-10-18(17)23-12-14-24-15-13-23/h4,6-7,9-10H,1,5,8,11-16H2,2-3H3,(H,20,21)
InChIKeyZEJOURQENKESAM-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.50
Rot. Bonds7

About 1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine

1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine (PubChem CID 109499360) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine
PubChem CID109499360
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCc1ccccc1N1CCOCC1
InChIInChI=1S/C19H30N4O/c1-4-5-8-11-22(3)19(20-2)21-16-17-9-6-7-10-18(17)23-12-14-24-15-13-23/h4,6-7,9-10H,1,5,8,11-16H2,2-3H3,(H,20,21)
InChIKeyZEJOURQENKESAM-UHFFFAOYSA-N
XLogP2.50
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

3-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109496333
3-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497178
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111287453
3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109496327
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981042
1,2-dimethyl-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-pent-4-enylguanidine;hydroiodide
CID 109497024
3-[[2-(dimethylsulfamoyl)phenyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109496673
3-[[2-(methanesulfonamido)phenyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109496471
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 75419013
1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine
CID 150037240
1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine
CID 109498766
3-[(2,5-difluorophenyl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109498230

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine?
The IUPAC name of 1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine (CID 109499360) is 1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine.
What is the SMILES notation for 1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine?
The canonical SMILES for 1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCc1ccccc1N1CCOCC1.
What is the InChIKey of 1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine?
The InChIKey is ZEJOURQENKESAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-4-5-8-11-22(3)19(20-2)21-16-17-9-6-7-10-18(17)23-12-14-24-15-13-23/h4,6-7,9-10H,1,5,8,11-16H2,2-3H3,(H,20,21).
What are the key properties of 1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine?
1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine has a molecular weight of 330.48 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine is sourced from PubChem (CID 109499360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).