1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine

C12H21N3S — CID 111178780

IUPAC1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccs1)NCC(C)C
InChIInChI=1S/C12H21N3S/c1-4-13-12(14-8-10(2)3)15-9-11-6-5-7-16-11/h5-7,10H,4,8-9H2,1-3H3,(H2,13,14,15)
InChIKeyQPAMJQINHDNQMB-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.46
Rot. Bonds5

About 1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine

1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine (PubChem CID 111178780) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine
PubChem CID111178780
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccs1)NCC(C)C
InChIInChI=1S/C12H21N3S/c1-4-13-12(14-8-10(2)3)15-9-11-6-5-7-16-11/h5-7,10H,4,8-9H2,1-3H3,(H2,13,14,15)
InChIKeyQPAMJQINHDNQMB-UHFFFAOYSA-N
XLogP2.46
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.46
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-ethyl-3-(2-methylpropyl)-2-(thiophen-2-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

1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110914274
1-[2-(dimethylamino)-4-methylpentyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
CID 111258551
1-ethyl-3-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111715514
1-[2-(dimethylamino)-4-methylpentyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258550
1-ethyl-3-propyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111225400
1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513135
1-ethyl-3-prop-2-ynyl-2-(thiophen-2-ylmethyl)guanidine
CID 111260173
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
CID 111258351
1-ethyl-3-[2-(2-methoxyphenyl)propyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111257482
1-ethyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111259953
1-ethyl-3-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257779
1-ethyl-3-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111259976

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine (CID 111178780) is 1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine is CCN/C(=N\Cc1cccs1)NCC(C)C.
What is the InChIKey of 1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine?
The InChIKey is QPAMJQINHDNQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-13-12(14-8-10(2)3)15-9-11-6-5-7-16-11/h5-7,10H,4,8-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine?
1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine has a molecular weight of 239.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 111178780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).