2-methyl-1-(1-thiophen-3-ylethyl)guanidine

C8H13N3S — CID 62843548

IUPAC2-methyl-1-(1-thiophen-3-ylethyl)guanidine
SMILESC/N=C(\N)NC(C)c1ccsc1
InChIInChI=1S/C8H13N3S/c1-6(11-8(9)10-2)7-3-4-12-5-7/h3-6H,1-2H3,(H3,9,10,11)
InChIKeyPACRSXUTNHPVGY-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.34
Rot. Bonds2

About 2-methyl-1-(1-thiophen-3-ylethyl)guanidine

2-methyl-1-(1-thiophen-3-ylethyl)guanidine (PubChem CID 62843548) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-methyl-1-(1-thiophen-3-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(1-thiophen-3-ylethyl)guanidine
PubChem CID62843548
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-methyl-1-(1-thiophen-3-ylethyl)guanidine
SMILESC/N=C(\N)NC(C)c1ccsc1
InChIInChI=1S/C8H13N3S/c1-6(11-8(9)10-2)7-3-4-12-5-7/h3-6H,1-2H3,(H3,9,10,11)
InChIKeyPACRSXUTNHPVGY-UHFFFAOYSA-N
XLogP1.34
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-amino-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 64824650
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide
CID 62844280
2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide
CID 79812220
2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
1-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine
CID 62359902
(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide
CID 62844569
(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide
CID 107569617
3-amino-N-(1-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 62840601

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-thiophen-3-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-(1-thiophen-3-ylethyl)guanidine (CID 62843548) is 2-methyl-1-(1-thiophen-3-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(1-thiophen-3-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(1-thiophen-3-ylethyl)guanidine is C/N=C(\N)NC(C)c1ccsc1.
What is the InChIKey of 2-methyl-1-(1-thiophen-3-ylethyl)guanidine?
The InChIKey is PACRSXUTNHPVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6(11-8(9)10-2)7-3-4-12-5-7/h3-6H,1-2H3,(H3,9,10,11).
What are the key properties of 2-methyl-1-(1-thiophen-3-ylethyl)guanidine?
2-methyl-1-(1-thiophen-3-ylethyl)guanidine has a molecular weight of 183.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-thiophen-3-ylethyl)guanidine is sourced from PubChem (CID 62843548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).