1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine

C18H32N4O2 — CID 111077445

IUPAC1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine
SMILESCCCN(CCC)CCC/N=C(\N)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H32N4O2/c1-5-11-22(12-6-2)13-7-10-20-18(19)21-15-8-9-16(23-3)17(14-15)24-4/h8-9,14H,5-7,10-13H2,1-4H3,(H3,19,20,21)
InChIKeyBBFJKODRLZIAGS-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.94
Rot. Bonds11

About 1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine

1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine (PubChem CID 111077445) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine
PubChem CID111077445
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine
SMILESCCCN(CCC)CCC/N=C(\N)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H32N4O2/c1-5-11-22(12-6-2)13-7-10-20-18(19)21-15-8-9-16(23-3)17(14-15)24-4/h8-9,14H,5-7,10-13H2,1-4H3,(H3,19,20,21)
InChIKeyBBFJKODRLZIAGS-UHFFFAOYSA-N
XLogP2.94
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.94
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-butyl-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111023202
1-(3,4-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111029939
1-(3,4-dimethoxyphenyl)-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111066486
1-(3-chloro-4-methoxyphenyl)-2-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine
CID 111066425
2-(2-butoxyethyl)-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111075022
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
CID 62379415
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide
CID 110912605
1-(3,4-dimethoxyphenyl)-2-[3-(2-fluoro-N-methylanilino)propyl]guanidine;hydroiodide
CID 111077608
1-(3,4-dimethoxyphenyl)-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111067185
2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111025337
2-[2-(tert-butylamino)ethyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111803382
1-(3,4-dimethoxyphenyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800791

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine (CID 111077445) is 1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine is CCCN(CCC)CCC/N=C(\N)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine?
The InChIKey is BBFJKODRLZIAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-5-11-22(12-6-2)13-7-10-20-18(19)21-15-8-9-16(23-3)17(14-15)24-4/h8-9,14H,5-7,10-13H2,1-4H3,(H3,19,20,21).
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine?
1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine has a molecular weight of 336.48 g/mol, XLogP of 2.94, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[3-(dipropylamino)propyl]guanidine is sourced from PubChem (CID 111077445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).