1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine

C15H32N4OS — CID 111650664

IUPAC1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine
SMILESC=CCSCCN/C(=N/CCN(C)CCCOC)NCC
InChIInChI=1S/C15H32N4OS/c1-5-13-21-14-9-18-15(16-6-2)17-8-11-19(3)10-7-12-20-4/h5H,1,6-14H2,2-4H3,(H2,16,17,18)
InChIKeyFYVPPXQVNFMOSH-UHFFFAOYSA-N
MW316.52 g/mol
LogP1.43
Rot. Bonds13

About 1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine

1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine (PubChem CID 111650664) has the molecular formula C15H32N4OS and a molecular weight of 316.52 g/mol. Its IUPAC name is 1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine
PubChem CID111650664
Molecular FormulaC15H32N4OS
Molecular Weight316.52 g/mol
Exact Mass316.23
IUPAC Name1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine
SMILESC=CCSCCN/C(=N/CCN(C)CCCOC)NCC
InChIInChI=1S/C15H32N4OS/c1-5-13-21-14-9-18-15(16-6-2)17-8-11-19(3)10-7-12-20-4/h5H,1,6-14H2,2-4H3,(H2,16,17,18)
InChIKeyFYVPPXQVNFMOSH-UHFFFAOYSA-N
XLogP1.43
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.52
LogP ≤ 51.43
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652560
1-ethyl-3-(2-prop-2-enylsulfanylethyl)-2-propylguanidine;hydroiodide
CID 111227718
2-(4-ethoxybutyl)-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652936
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652526
1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111651561
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652910
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651124
1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111151522
N-[2-[[N-ethyl-N'-[2-[3-methoxypropyl(methyl)amino]ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111650539
2-[[(2-methoxyethylamino)-(2-prop-2-enylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111544994
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651024
1-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651076

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine (CID 111650664) is 1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine is C=CCSCCN/C(=N/CCN(C)CCCOC)NCC.
What is the InChIKey of 1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine?
The InChIKey is FYVPPXQVNFMOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4OS/c1-5-13-21-14-9-18-15(16-6-2)17-8-11-19(3)10-7-12-20-4/h5H,1,6-14H2,2-4H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine?
1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine has a molecular weight of 316.52 g/mol, XLogP of 1.43, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-(2-prop-2-enylsulfanylethyl)guanidine is sourced from PubChem (CID 111650664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).