1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine

C19H34N4O3 — CID 111839363

IUPAC1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
SMILESCCCN(CC)CCN/C(=N\C)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H34N4O3/c1-7-10-23(8-2)11-9-21-19(20-3)22-14-15-12-16(24-4)18(26-6)17(13-15)25-5/h12-13H,7-11,14H2,1-6H3,(H2,20,21,22)
InChIKeyDXHWEWHWSFJFSD-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.11
Rot. Bonds11

About 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine

1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine (PubChem CID 111839363) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
PubChem CID111839363
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
SMILESCCCN(CC)CCN/C(=N\C)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H34N4O3/c1-7-10-23(8-2)11-9-21-19(20-3)22-14-15-12-16(24-4)18(26-6)17(13-15)25-5/h12-13H,7-11,14H2,1-6H3,(H2,20,21,22)
InChIKeyDXHWEWHWSFJFSD-UHFFFAOYSA-N
XLogP2.11
TPSA67.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-propyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111226070
2-methyl-1,3-bis[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111376591
1-(2-ethoxyethyl)-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111376633
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111969038
1-(2-cyclopropylethyl)-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111604741
2-methyl-1-[2-(2,3,4-trimethoxyphenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377291
1-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111589183
2-methyl-1-[(4-methylphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111243917
1-[3-[4-(dimethylamino)phenyl]propyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377768
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111010947
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377393
1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227752

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine?
The IUPAC name of 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine (CID 111839363) is 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine is CCCN(CC)CCN/C(=N\C)NCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine?
The InChIKey is DXHWEWHWSFJFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-7-10-23(8-2)11-9-21-19(20-3)22-14-15-12-16(24-4)18(26-6)17(13-15)25-5/h12-13H,7-11,14H2,1-6H3,(H2,20,21,22).
What are the key properties of 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine?
1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine has a molecular weight of 366.51 g/mol, XLogP of 2.11, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine is sourced from PubChem (CID 111839363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).