1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide

C16H28IN3O — CID 111225492

IUPAC1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N/CC(C)c1ccccc1OC)NCC.I
InChIInChI=1S/C16H27N3O.HI/c1-5-11-18-16(17-6-2)19-12-13(3)14-9-7-8-10-15(14)20-4;/h7-10,13H,5-6,11-12H2,1-4H3,(H2,17,18,19);1H
InChIKeyCKDCBOGUXSRMQT-UHFFFAOYSA-N
MW405.32 g/mol
LogP3.38
Rot. Bonds7

About 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide

1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide (PubChem CID 111225492) has the molecular formula C16H28IN3O and a molecular weight of 405.32 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide
PubChem CID111225492
Molecular FormulaC16H28IN3O
Molecular Weight405.32 g/mol
Exact Mass405.13
IUPAC Name1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N/CC(C)c1ccccc1OC)NCC.I
InChIInChI=1S/C16H27N3O.HI/c1-5-11-18-16(17-6-2)19-12-13(3)14-9-7-8-10-15(14)20-4;/h7-10,13H,5-6,11-12H2,1-4H3,(H2,17,18,19);1H
InChIKeyCKDCBOGUXSRMQT-UHFFFAOYSA-N
XLogP3.38
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-3-ethyl-2-[2-(2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 110945323
N-[2-[[N-ethyl-N'-[2-(2-methoxyphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111928297
1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187223
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[2-(2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111563769
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine
CID 110978559
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-propylguanidine;hydroiodide
CID 111226828
2-benzyl-1-ethyl-3-[2-(2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 110954153
1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 111097623
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 111270101
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 109494557
methyl 3-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111339936
1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682543

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide (CID 111225492) is 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide is CCCN/C(=N/CC(C)c1ccccc1OC)NCC.I.
What is the InChIKey of 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide?
The InChIKey is CKDCBOGUXSRMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.HI/c1-5-11-18-16(17-6-2)19-12-13(3)14-9-7-8-10-15(14)20-4;/h7-10,13H,5-6,11-12H2,1-4H3,(H2,17,18,19);1H.
What are the key properties of 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide?
1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide has a molecular weight of 405.32 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111225492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).