1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine

C21H32N4O2 — CID 111652648

IUPAC1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine
SMILESC/N=C(/NCCOc1cccc2ccccc12)NCCN(C)CCCOC
InChIInChI=1S/C21H32N4O2/c1-22-21(23-12-15-25(2)14-7-16-26-3)24-13-17-27-20-11-6-9-18-8-4-5-10-19(18)20/h4-6,8-11H,7,12-17H2,1-3H3,(H2,22,23,24)
InChIKeyYIYXTNUVYDAHNE-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.35
Rot. Bonds11

About 1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine

1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine (PubChem CID 111652648) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine.

Molecular Properties

Compound Name1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine
PubChem CID111652648
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine
SMILESC/N=C(/NCCOc1cccc2ccccc12)NCCN(C)CCCOC
InChIInChI=1S/C21H32N4O2/c1-22-21(23-12-15-25(2)14-7-16-26-3)24-13-17-27-20-11-6-9-18-8-4-5-10-19(18)20/h4-6,8-11H,7,12-17H2,1-3H3,(H2,22,23,24)
InChIKeyYIYXTNUVYDAHNE-UHFFFAOYSA-N
XLogP2.35
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.35
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

1-[2-(2-methoxyphenyl)ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111652706
1-[(2-ethoxyphenyl)methyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111651229
1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111652317
1-(3-ethoxypropyl)-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 111224040
1-[2-(4-chlorophenoxy)ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111652693
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111650910
1-[[3-(methoxymethyl)phenyl]methyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111650966
1-[(4-fluorophenyl)methyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111650895
1-(2-methoxy-2-phenylethyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111650318
1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111651963
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111652348
1-[[4-(methoxymethyl)phenyl]methyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111652377

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine?
The IUPAC name of 1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine (CID 111652648) is 1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine.
What is the SMILES notation for 1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine?
The canonical SMILES for 1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine is C/N=C(/NCCOc1cccc2ccccc12)NCCN(C)CCCOC.
What is the InChIKey of 1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine?
The InChIKey is YIYXTNUVYDAHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-22-21(23-12-15-25(2)14-7-16-26-3)24-13-17-27-20-11-6-9-18-8-4-5-10-19(18)20/h4-6,8-11H,7,12-17H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine?
1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine has a molecular weight of 372.51 g/mol, XLogP of 2.35, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(2-naphthalen-1-yloxyethyl)guanidine is sourced from PubChem (CID 111652648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).