2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine

C20H34N4O2 — CID 111401733

IUPAC2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
SMILESC/N=C(\NCCCOCC(C)C)NCc1ccccc1N1CCOCC1
InChIInChI=1S/C20H34N4O2/c1-17(2)16-26-12-6-9-22-20(21-3)23-15-18-7-4-5-8-19(18)24-10-13-25-14-11-24/h4-5,7-8,17H,6,9-16H2,1-3H3,(H2,21,22,23)
InChIKeyYANKJMLZMHREEK-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.25
Rot. Bonds9

About 2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine

2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine (PubChem CID 111401733) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
PubChem CID111401733
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
SMILESC/N=C(\NCCCOCC(C)C)NCc1ccccc1N1CCOCC1
InChIInChI=1S/C20H34N4O2/c1-17(2)16-26-12-6-9-22-20(21-3)23-15-18-7-4-5-8-19(18)24-10-13-25-14-11-24/h4-5,7-8,17H,6,9-16H2,1-3H3,(H2,21,22,23)
InChIKeyYANKJMLZMHREEK-UHFFFAOYSA-N
XLogP2.25
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111402551
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111402550
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111387502
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111217759
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111266589
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111678690
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111865543
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111380341
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111197183
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981042
1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111246341
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-nitrophenyl)methyl]guanidine
CID 111401931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine (CID 111401733) is 2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine is C/N=C(\NCCCOCC(C)C)NCc1ccccc1N1CCOCC1.
What is the InChIKey of 2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine?
The InChIKey is YANKJMLZMHREEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-17(2)16-26-12-6-9-22-20(21-3)23-15-18-7-4-5-8-19(18)24-10-13-25-14-11-24/h4-5,7-8,17H,6,9-16H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine?
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine has a molecular weight of 362.52 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111401733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).