1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine

C16H25N3O3 — CID 110030550

IUPAC1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
SMILESCOc1ccc(CC/N=C(\N)N(C)C2CC2)c(OC)c1OC
InChIInChI=1S/C16H25N3O3/c1-19(12-6-7-12)16(17)18-10-9-11-5-8-13(20-2)15(22-4)14(11)21-3/h5,8,12H,6-7,9-10H2,1-4H3,(H2,17,18)
InChIKeyGSTSXOBPZWVPBW-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.66
Rot. Bonds7

About 1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine

1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine (PubChem CID 110030550) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
PubChem CID110030550
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
SMILESCOc1ccc(CC/N=C(\N)N(C)C2CC2)c(OC)c1OC
InChIInChI=1S/C16H25N3O3/c1-19(12-6-7-12)16(17)18-10-9-11-5-8-13(20-2)15(22-4)14(11)21-3/h5,8,12H,6-7,9-10H2,1-4H3,(H2,17,18)
InChIKeyGSTSXOBPZWVPBW-UHFFFAOYSA-N
XLogP1.66
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine
CID 110030115
1-cyclopropyl-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 110031793
1-prop-2-enyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 136523766
1-(4-methoxyphenyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111080336
1,3-diethyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110935047
ethyl 4-[[N'-[2-(2,3,4-trimethoxyphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111080389
1-cyclohexyl-3-ethyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110957050
2-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110030833
1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
1-cyclopropyl-2-[2-(3,5-difluorophenyl)ethyl]-1-methylguanidine;hydroiodide
CID 110030763
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111189157
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111080395

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine (CID 110030550) is 1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine is COc1ccc(CC/N=C(\N)N(C)C2CC2)c(OC)c1OC.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine?
The InChIKey is GSTSXOBPZWVPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-19(12-6-7-12)16(17)18-10-9-11-5-8-13(20-2)15(22-4)14(11)21-3/h5,8,12H,6-7,9-10H2,1-4H3,(H2,17,18).
What are the key properties of 1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine?
1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine has a molecular weight of 307.39 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 110030550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).