1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine

C16H23N3S2 — CID 111518221

IUPAC1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine
SMILESC/N=C(\NCC(C)Cc1cccs1)N(C)Cc1ccsc1
InChIInChI=1S/C16H23N3S2/c1-13(9-15-5-4-7-21-15)10-18-16(17-2)19(3)11-14-6-8-20-12-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,18)
InChIKeyMNGAHRDJLRWXPL-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.70
Rot. Bonds6

About 1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine

1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine (PubChem CID 111518221) has the molecular formula C16H23N3S2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine
PubChem CID111518221
Molecular FormulaC16H23N3S2
Molecular Weight321.51 g/mol
Exact Mass321.13
IUPAC Name1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine
SMILESC/N=C(\NCC(C)Cc1cccs1)N(C)Cc1ccsc1
InChIInChI=1S/C16H23N3S2/c1-13(9-15-5-4-7-21-15)10-18-16(17-2)19(3)11-14-6-8-20-12-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,18)
InChIKeyMNGAHRDJLRWXPL-UHFFFAOYSA-N
XLogP3.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
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

3-(2-ethylbutyl)-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine
CID 111984929
1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-pent-4-enylguanidine
CID 109496762
3-[2-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-(thiophen-3-ylmethyl)guanidine
CID 111502621
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111516658
1-ethyl-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673325
1-[(4-fluorophenyl)methyl]-1,2-dimethyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111307187
2-methyl-1-(2-thiophen-2-ylethyl)-3-(thiophen-3-ylmethyl)guanidine
CID 111349622
1-[[4-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673791
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111673320
1-butan-2-yl-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111492237
2-methyl-1-(3-methylbutyl)-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111494987
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 111510571

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine (CID 111518221) is 1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine is C/N=C(\NCC(C)Cc1cccs1)N(C)Cc1ccsc1.
What is the InChIKey of 1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine?
The InChIKey is MNGAHRDJLRWXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S2/c1-13(9-15-5-4-7-21-15)10-18-16(17-2)19(3)11-14-6-8-20-12-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,18).
What are the key properties of 1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine?
1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine has a molecular weight of 321.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 111518221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).