1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine

C16H27N3O2 — CID 110976023

IUPAC1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
SMILESC/N=C(\NCCCOC)NCCCc1cccc(OC)c1
InChIInChI=1S/C16H27N3O2/c1-17-16(19-11-6-12-20-2)18-10-5-8-14-7-4-9-15(13-14)21-3/h4,7,9,13H,5-6,8,10-12H2,1-3H3,(H2,17,18,19)
InChIKeyPCQBNUIWRXMEQR-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.83
Rot. Bonds9

About 1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine

1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine (PubChem CID 110976023) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
PubChem CID110976023
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
SMILESC/N=C(\NCCCOC)NCCCc1cccc(OC)c1
InChIInChI=1S/C16H27N3O2/c1-17-16(19-11-6-12-20-2)18-10-5-8-14-7-4-9-15(13-14)21-3/h4,7,9,13H,5-6,8,10-12H2,1-3H3,(H2,17,18,19)
InChIKeyPCQBNUIWRXMEQR-UHFFFAOYSA-N
XLogP1.83
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-(3-ethoxypropyl)-3-[3-(3-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 111224346
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111136425
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 111627456
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111002379
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982420
1-[2-[di(propan-2-yl)amino]ethyl]-3-[3-(3-methoxyphenyl)propyl]-2-methylguanidine
CID 111248401
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine
CID 111410613
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349501
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111610365
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193839
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111898231
3-[2-[[N-[3-(3-methoxyphenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669074

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine?
The IUPAC name of 1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine (CID 110976023) is 1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine?
The canonical SMILES for 1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine is C/N=C(\NCCCOC)NCCCc1cccc(OC)c1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine?
The InChIKey is PCQBNUIWRXMEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-17-16(19-11-6-12-20-2)18-10-5-8-14-7-4-9-15(13-14)21-3/h4,7,9,13H,5-6,8,10-12H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine?
1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine has a molecular weight of 293.41 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine is sourced from PubChem (CID 110976023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).