1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine

C12H19N3S — CID 110989877

IUPAC1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccsc1)NC1CCCC1
InChIInChI=1S/C12H19N3S/c1-13-12(15-11-4-2-3-5-11)14-8-10-6-7-16-9-10/h6-7,9,11H,2-5,8H2,1H3,(H2,13,14,15)
InChIKeyHPPTUBQAPZTXHQ-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.36
Rot. Bonds3

About 1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine

1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine (PubChem CID 110989877) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine
PubChem CID110989877
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccsc1)NC1CCCC1
InChIInChI=1S/C12H19N3S/c1-13-12(15-11-4-2-3-5-11)14-8-10-6-7-16-9-10/h6-7,9,11H,2-5,8H2,1H3,(H2,13,14,15)
InChIKeyHPPTUBQAPZTXHQ-UHFFFAOYSA-N
XLogP2.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.36
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'}

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Related Compounds

1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 109439671
ethyl 4-[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111328556
1-(2-cycloheptyloxyethyl)-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111575224
2-methyl-1-(2-phenylcyclopropyl)-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940648
1-(3-cyclopentyloxypropyl)-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111941394
1-cyclopentyl-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110991210
1-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940680
1-[(4-cyanophenyl)methyl]-3-cyclohexyl-2-methylguanidine
CID 110957102
1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 110992731
1-cyclopentyl-3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylguanidine;hydroiodide
CID 110990666
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine (CID 110989877) is 1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine is C/N=C(\NCc1ccsc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine?
The InChIKey is HPPTUBQAPZTXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-13-12(15-11-4-2-3-5-11)14-8-10-6-7-16-9-10/h6-7,9,11H,2-5,8H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine?
1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine has a molecular weight of 237.37 g/mol, XLogP of 2.36, 3 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-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 110989877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).