1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine

C14H26N4S — CID 119160505

IUPAC1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)SC)NC1CCCC1C#N
InChIInChI=1S/C14H26N4S/c1-5-16-13(17-10-14(2,3)19-4)18-12-8-6-7-11(12)9-15/h11-12H,5-8,10H2,1-4H3,(H2,16,17,18)
InChIKeyVPZGRXXSTZIDHN-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.38
Rot. Bonds5

About 1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine

1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine (PubChem CID 119160505) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine
PubChem CID119160505
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)SC)NC1CCCC1C#N
InChIInChI=1S/C14H26N4S/c1-5-16-13(17-10-14(2,3)19-4)18-12-8-6-7-11(12)9-15/h11-12H,5-8,10H2,1-4H3,(H2,16,17,18)
InChIKeyVPZGRXXSTZIDHN-UHFFFAOYSA-N
XLogP2.38
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611968
1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611396
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-methyl-2-methylsulfanylpropyl)carbamimidoyl]amino]ethyl]acetamide
CID 111609942
1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
CID 119155538
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111610322
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-prop-2-enylguanidine
CID 111609594
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111610225
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111609892
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111610914
3-amino-N-(2-cyanocyclopentyl)-3-methylbutanamide
CID 64679356
3-[[N-ethyl-N'-(2-methyl-2-methylsulfanylpropyl)carbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111609393
N-[2-[[N-ethyl-N'-(2-methyl-2-methylsulfanylpropyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111610868

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine?
The IUPAC name of 1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine (CID 119160505) is 1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine is CCN/C(=N\CC(C)(C)SC)NC1CCCC1C#N.
What is the InChIKey of 1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine?
The InChIKey is VPZGRXXSTZIDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-5-16-13(17-10-14(2,3)19-4)18-12-8-6-7-11(12)9-15/h11-12H,5-8,10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine?
1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine has a molecular weight of 282.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 119160505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).