2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine

C19H34N4OS — CID 110052852

IUPAC2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine
SMILESCSCCN/C(=N\CC1(CN(C)C)CCCC1)NCCc1ccco1
InChIInChI=1S/C19H34N4OS/c1-23(2)16-19(9-4-5-10-19)15-22-18(21-12-14-25-3)20-11-8-17-7-6-13-24-17/h6-7,13H,4-5,8-12,14-16H2,1-3H3,(H2,20,21,22)
InChIKeyIMGORNZDEYCYOZ-UHFFFAOYSA-N
MW366.58 g/mol
LogP2.84
Rot. Bonds10

About 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine

2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine (PubChem CID 110052852) has the molecular formula C19H34N4OS and a molecular weight of 366.58 g/mol. Its IUPAC name is 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine.

Molecular Properties

Compound Name2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine
PubChem CID110052852
Molecular FormulaC19H34N4OS
Molecular Weight366.58 g/mol
Exact Mass366.25
IUPAC Name2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine
SMILESCSCCN/C(=N\CC1(CN(C)C)CCCC1)NCCc1ccco1
InChIInChI=1S/C19H34N4OS/c1-23(2)16-19(9-4-5-10-19)15-22-18(21-12-14-25-3)20-11-8-17-7-6-13-24-17/h6-7,13H,4-5,8-12,14-16H2,1-3H3,(H2,20,21,22)
InChIKeyIMGORNZDEYCYOZ-UHFFFAOYSA-N
XLogP2.84
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 52.84
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'}

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Related Compounds

2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110052167
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110053215
1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)-2-[(2-methylthiolan-2-yl)methyl]guanidine;hydroiodide
CID 110059421
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine
CID 110050452
2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine
CID 110050980
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-propylguanidine
CID 110050468
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110051179
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110050811
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110052621
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-propylguanidine
CID 110052642
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-prop-2-enylguanidine
CID 110051946
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 110051186

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine?
The IUPAC name of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine (CID 110052852) is 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine.
What is the SMILES notation for 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine?
The canonical SMILES for 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine is CSCCN/C(=N\CC1(CN(C)C)CCCC1)NCCc1ccco1.
What is the InChIKey of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine?
The InChIKey is IMGORNZDEYCYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4OS/c1-23(2)16-19(9-4-5-10-19)15-22-18(21-12-14-25-3)20-11-8-17-7-6-13-24-17/h6-7,13H,4-5,8-12,14-16H2,1-3H3,(H2,20,21,22).
What are the key properties of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine?
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine has a molecular weight of 366.58 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine is sourced from PubChem (CID 110052852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).