2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine

C18H32N4S — CID 111348842

IUPAC2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1cccs1)NCC(CC(C)C)N1CCCC1
InChIInChI=1S/C18H32N4S/c1-15(2)13-16(22-10-4-5-11-22)14-21-18(19-3)20-9-8-17-7-6-12-23-17/h6-7,12,15-16H,4-5,8-11,13-14H2,1-3H3,(H2,19,20,21)
InChIKeyGMWZVTWFCMOFOJ-UHFFFAOYSA-N
MW336.55 g/mol
LogP2.97
Rot. Bonds8

About 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine

2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111348842) has the molecular formula C18H32N4S and a molecular weight of 336.55 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine
PubChem CID111348842
Molecular FormulaC18H32N4S
Molecular Weight336.55 g/mol
Exact Mass336.23
IUPAC Name2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1cccs1)NCC(CC(C)C)N1CCCC1
InChIInChI=1S/C18H32N4S/c1-15(2)13-16(22-10-4-5-11-22)14-21-18(19-3)20-9-8-17-7-6-12-23-17/h6-7,12,15-16H,4-5,8-11,13-14H2,1-3H3,(H2,19,20,21)
InChIKeyGMWZVTWFCMOFOJ-UHFFFAOYSA-N
XLogP2.97
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350301
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111012880
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111932495
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284588
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111291900
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111516658
1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111150541
1-butan-2-yl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110945359
2-methyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]propanamide
CID 111350666
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111042287
1-(2-ethoxyethyl)-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111895019
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111042286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine (CID 111348842) is 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine is C/N=C(\NCCc1cccs1)NCC(CC(C)C)N1CCCC1.
What is the InChIKey of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is GMWZVTWFCMOFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4S/c1-15(2)13-16(22-10-4-5-11-22)14-21-18(19-3)20-9-8-17-7-6-12-23-17/h6-7,12,15-16H,4-5,8-11,13-14H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine?
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 336.55 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111348842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).