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

C12H21N3S — CID 62364330

IUPAC1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine
SMILESCC(C)C/N=C(\N)N(C)C(C)c1cccs1
InChIInChI=1S/C12H21N3S/c1-9(2)8-14-12(13)15(4)10(3)11-6-5-7-16-11/h5-7,9-10H,8H2,1-4H3,(H2,13,14)
InChIKeyPQKCPBYELSCCKU-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.71
Rot. Bonds4

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

1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine (PubChem CID 62364330) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine
PubChem CID62364330
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine
SMILESCC(C)C/N=C(\N)N(C)C(C)c1cccs1
InChIInChI=1S/C12H21N3S/c1-9(2)8-14-12(13)15(4)10(3)11-6-5-7-16-11/h5-7,9-10H,8H2,1-4H3,(H2,13,14)
InChIKeyPQKCPBYELSCCKU-UHFFFAOYSA-N
XLogP2.71
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
CID 52501435
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307
N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366231
N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide
CID 56751582
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
3-[methyl(1-thiophen-2-ylethyl)amino]-2-phenylpropanimidamide
CID 64537694
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine
CID 47086547

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine (CID 62364330) is 1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine is CC(C)C/N=C(\N)N(C)C(C)c1cccs1.
What is the InChIKey of 1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine?
The InChIKey is PQKCPBYELSCCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(2)8-14-12(13)15(4)10(3)11-6-5-7-16-11/h5-7,9-10H,8H2,1-4H3,(H2,13,14).
What are the key properties of 1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine?
1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine has a molecular weight of 239.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 62364330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).