1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine

C10H15N3S — CID 75371819

IUPAC1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine
SMILESC=CC/N=C(\N)N(C)Cc1ccsc1
InChIInChI=1S/C10H15N3S/c1-3-5-12-10(11)13(2)7-9-4-6-14-8-9/h3-4,6,8H,1,5,7H2,2H3,(H2,11,12)
InChIKeyADWOPYZATDYYSS-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.68
Rot. Bonds4

About 1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine

1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine (PubChem CID 75371819) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine
PubChem CID75371819
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine
SMILESC=CC/N=C(\N)N(C)Cc1ccsc1
InChIInChI=1S/C10H15N3S/c1-3-5-12-10(11)13(2)7-9-4-6-14-8-9/h3-4,6,8H,1,5,7H2,2H3,(H2,11,12)
InChIKeyADWOPYZATDYYSS-UHFFFAOYSA-N
XLogP1.68
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.68
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)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

1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine
CID 62362772
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 79797348
2-[2-(furan-2-yl)ethyl]-1-methyl-3-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 136920970
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
3-amino-2-methoxy-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 106111308
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
6-amino-N-methyl-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 62155302
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
(E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide
CID 94082032
N-methyl-N-(thiophen-3-ylmethyl)propanimidamide
CID 63175468
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
3-[methyl(thiophen-3-ylmethyl)amino]prop-2-enoic acid
CID 79889953

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine (CID 75371819) is 1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine is C=CC/N=C(\N)N(C)Cc1ccsc1.
What is the InChIKey of 1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine?
The InChIKey is ADWOPYZATDYYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-5-12-10(11)13(2)7-9-4-6-14-8-9/h3-4,6,8H,1,5,7H2,2H3,(H2,11,12).
What are the key properties of 1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine?
1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine has a molecular weight of 209.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 75371819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).