2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine

C13H22N4S — CID 136924041

IUPAC2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(c1cccs1)N(C)C
InChIInChI=1S/C13H22N4S/c1-10(2)8-15-13(14)16-9-11(17(3)4)12-6-5-7-18-12/h5-7,11H,1,8-9H2,2-4H3,(H3,14,15,16)
InChIKeyGLYAGBOWMBYGTF-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.83
Rot. Bonds6

About 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine

2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine (PubChem CID 136924041) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine
PubChem CID136924041
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(c1cccs1)N(C)C
InChIInChI=1S/C13H22N4S/c1-10(2)8-15-13(14)16-9-11(17(3)4)12-6-5-7-18-12/h5-7,11H,1,8-9H2,2-4H3,(H3,14,15,16)
InChIKeyGLYAGBOWMBYGTF-UHFFFAOYSA-N
XLogP1.83
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.83
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
CID 52501435
1-(2-methylprop-2-enyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 136926885
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine
CID 47086547
2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136924607
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)guanidine
CID 111028142
1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
CID 136924616
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine
CID 137062636
2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine
CID 136921150
2-(2-hydroxy-2-pyridin-4-ylethyl)-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136726358
2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136924659
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127090

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine (CID 136924041) is 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine is C=C(C)CN/C(N)=N/CC(c1cccs1)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine?
The InChIKey is GLYAGBOWMBYGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-10(2)8-15-13(14)16-9-11(17(3)4)12-6-5-7-18-12/h5-7,11H,1,8-9H2,2-4H3,(H3,14,15,16).
What are the key properties of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine?
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine has a molecular weight of 266.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 136924041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).