2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine

C17H29N3O3 — CID 111835555

IUPAC2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
SMILESC/N=C(/NCCc1c(OC)cc(OC)cc1OC)NCC(C)C
InChIInChI=1S/C17H29N3O3/c1-12(2)11-20-17(18-3)19-8-7-14-15(22-5)9-13(21-4)10-16(14)23-6/h9-10,12H,7-8,11H2,1-6H3,(H2,18,19,20)
InChIKeyCAEUTQGSOVLBKL-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.08
Rot. Bonds8

About 2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine

2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine (PubChem CID 111835555) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
PubChem CID111835555
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
SMILESC/N=C(/NCCc1c(OC)cc(OC)cc1OC)NCC(C)C
InChIInChI=1S/C17H29N3O3/c1-12(2)11-20-17(18-3)19-8-7-14-15(22-5)9-13(21-4)10-16(14)23-6/h9-10,12H,7-8,11H2,1-6H3,(H2,18,19,20)
InChIKeyCAEUTQGSOVLBKL-UHFFFAOYSA-N
XLogP2.08
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111544660
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111836520
2-methyl-1-(1-phenylethyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111545776
2-methyl-1-(2-methylpropyl)-3-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111180367
N-tert-butyl-2-[[N'-methyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]carbamimidoyl]amino]acetamide
CID 111839503
(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119320832
2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111837366
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine
CID 111934439
2-methyl-1-propan-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111124976
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111177914
1-butan-2-yl-2-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine
CID 110945852
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179155

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine (CID 111835555) is 2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine is C/N=C(/NCCc1c(OC)cc(OC)cc1OC)NCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine?
The InChIKey is CAEUTQGSOVLBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-12(2)11-20-17(18-3)19-8-7-14-15(22-5)9-13(21-4)10-16(14)23-6/h9-10,12H,7-8,11H2,1-6H3,(H2,18,19,20).
What are the key properties of 2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine?
2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine has a molecular weight of 323.44 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111835555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).