1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine

C12H25N3S — CID 111790988

IUPAC1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
SMILESC/N=C(\NCC(C)(C)SC)NC1CCCC1
InChIInChI=1S/C12H25N3S/c1-12(2,16-4)9-14-11(13-3)15-10-7-5-6-8-10/h10H,5-9H2,1-4H3,(H2,13,14,15)
InChIKeyOLFAJYNLWKNLOR-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.24
Rot. Bonds4

About 1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine

1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine (PubChem CID 111790988) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
PubChem CID111790988
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
SMILESC/N=C(\NCC(C)(C)SC)NC1CCCC1
InChIInChI=1S/C12H25N3S/c1-12(2,16-4)9-14-11(13-3)15-10-7-5-6-8-10/h10H,5-9H2,1-4H3,(H2,13,14,15)
InChIKeyOLFAJYNLWKNLOR-UHFFFAOYSA-N
XLogP2.24
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.24
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-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)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-methyl-2-methylsulfanylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111611688
1-(2,2-dimethylcyclopropyl)-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 119141186
1-cyclohexyl-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine
CID 110958449
1-cyclohexyl-2-methyl-3-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 111966589
1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine
CID 111779531
1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 104882473
tert-butyl 3-[[N'-methyl-N-(2-methyl-2-methylsulfanylpropyl)carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109465921
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(oxolan-2-ylmethyl)guanidine
CID 111610740
1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110958480
1-(2-tert-butylsulfonylethyl)-3-cyclohexyl-2-methylguanidine
CID 111573769
1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine
CID 110992281
1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine
CID 95760513

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine (CID 111790988) is 1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine is C/N=C(\NCC(C)(C)SC)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
The InChIKey is OLFAJYNLWKNLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-12(2,16-4)9-14-11(13-3)15-10-7-5-6-8-10/h10H,5-9H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine has a molecular weight of 243.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 111790988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).