2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine

C14H26N4S — CID 111127090

IUPAC2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine
SMILESCCN/C(=N\CC(c1cccs1)N(C)C)NC(C)C
InChIInChI=1S/C14H26N4S/c1-6-15-14(17-11(2)3)16-10-12(18(4)5)13-8-7-9-19-13/h7-9,11-12H,6,10H2,1-5H3,(H2,15,16,17)
InChIKeyJOLDGSCSZUGKKX-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.31
Rot. Bonds6

About 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine

2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine (PubChem CID 111127090) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine
PubChem CID111127090
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine
SMILESCCN/C(=N\CC(c1cccs1)N(C)C)NC(C)C
InChIInChI=1S/C14H26N4S/c1-6-15-14(17-11(2)3)16-10-12(18(4)5)13-8-7-9-19-13/h7-9,11-12H,6,10H2,1-5H3,(H2,15,16,17)
InChIKeyJOLDGSCSZUGKKX-UHFFFAOYSA-N
XLogP2.31
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.31
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-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine
CID 110981907
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180888
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110981906
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111224286
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111123891
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125746
2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
CID 52501435
1,3-diethyl-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 110924782
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910128
2-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-ethyl-3-(1-thiophen-2-ylethyl)guanidine
CID 111331034
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236169
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine
CID 111001951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine (CID 111127090) is 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine is CCN/C(=N\CC(c1cccs1)N(C)C)NC(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine?
The InChIKey is JOLDGSCSZUGKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-6-15-14(17-11(2)3)16-10-12(18(4)5)13-8-7-9-19-13/h7-9,11-12H,6,10H2,1-5H3,(H2,15,16,17).
What are the key properties of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine?
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine has a molecular weight of 282.46 g/mol, XLogP of 2.31, 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-ethyl-3-propan-2-ylguanidine is sourced from PubChem (CID 111127090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).