1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine

C11H19N3S — CID 110943272

IUPAC1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine
SMILESCCC(C)N/C(=N\C)NCc1ccsc1
InChIInChI=1S/C11H19N3S/c1-4-9(2)14-11(12-3)13-7-10-5-6-15-8-10/h5-6,8-9H,4,7H2,1-3H3,(H2,12,13,14)
InChIKeyOORLBURMFWXMPR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.21
Rot. Bonds4

About 1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine

1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine (PubChem CID 110943272) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine
PubChem CID110943272
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine
SMILESCCC(C)N/C(=N\C)NCc1ccsc1
InChIInChI=1S/C11H19N3S/c1-4-9(2)14-11(12-3)13-7-10-5-6-15-8-10/h5-6,8-9H,4,7H2,1-3H3,(H2,12,13,14)
InChIKeyOORLBURMFWXMPR-UHFFFAOYSA-N
XLogP2.21
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.21
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'}

Analyze 1-butan-2-yl-2-methyl-3-(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

2-methyl-1-(2-pyrrolidin-1-ylbutyl)-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940982
1-[1-(3,4-diethoxyphenyl)ethyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111297987
1-butan-2-yl-2-methyl-3-[(4-methylsulfanylphenyl)methyl]guanidine
CID 110943156
2-methyl-N-[2-[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111928493
2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine
CID 111849920
1-[(4-chlorophenyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111130694
1-butan-2-yl-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110944271
1-[(2-ethylphenyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111635808
2-methyl-1-(2-phenylbutyl)-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111367956
1-butan-2-yl-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 110945219
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111181367
2-methyl-1-(2-phenoxybutyl)-3-(thiophen-3-ylmethyl)guanidine
CID 111560698

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine (CID 110943272) is 1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine is CCC(C)N/C(=N\C)NCc1ccsc1.
What is the InChIKey of 1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine?
The InChIKey is OORLBURMFWXMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-9(2)14-11(12-3)13-7-10-5-6-15-8-10/h5-6,8-9H,4,7H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine?
1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine has a molecular weight of 225.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 110943272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).