2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine

C18H23N3S — CID 111703340

IUPAC2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine
SMILESC/N=C(\NCC(C)c1ccsc1)NC1CC1c1ccccc1
InChIInChI=1S/C18H23N3S/c1-13(15-8-9-22-12-15)11-20-18(19-2)21-17-10-16(17)14-6-4-3-5-7-14/h3-9,12-13,16-17H,10-11H2,1-2H3,(H2,19,20,21)
InChIKeyLKCMOLCSZUHYQX-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.57
Rot. Bonds5

About 2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine

2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine (PubChem CID 111703340) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine
PubChem CID111703340
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC Name2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine
SMILESC/N=C(\NCC(C)c1ccsc1)NC1CC1c1ccccc1
InChIInChI=1S/C18H23N3S/c1-13(15-8-9-22-12-15)11-20-18(19-2)21-17-10-16(17)14-6-4-3-5-7-14/h3-9,12-13,16-17H,10-11H2,1-2H3,(H2,19,20,21)
InChIKeyLKCMOLCSZUHYQX-UHFFFAOYSA-N
XLogP3.57
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.57
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

2-methyl-1-(2-phenylcyclopropyl)-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940648
1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111702778
1-[2-(dimethylamino)-2-phenylethyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704496
1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine
CID 110918454
1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703099
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703358
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703054
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-phenylcyclopropyl)guanidine
CID 111284929
2-methyl-1-(2-phenylcyclopropyl)-3-prop-2-enylguanidine;hydroiodide
CID 110983175
1-[2-(benzenesulfonamido)ethyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703727
1-butyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703317
1-(1-methoxypropan-2-yl)-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111773906

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine (CID 111703340) is 2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine is C/N=C(\NCC(C)c1ccsc1)NC1CC1c1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine?
The InChIKey is LKCMOLCSZUHYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S/c1-13(15-8-9-22-12-15)11-20-18(19-2)21-17-10-16(17)14-6-4-3-5-7-14/h3-9,12-13,16-17H,10-11H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine?
2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine has a molecular weight of 313.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylcyclopropyl)-3-(2-thiophen-3-ylpropyl)guanidine is sourced from PubChem (CID 111703340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).