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

C12H25N3S — CID 111611968

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)SC)NC1CC1C
InChIInChI=1S/C12H25N3S/c1-6-13-11(15-10-7-9(10)2)14-8-12(3,4)16-5/h9-10H,6-8H2,1-5H3,(H2,13,14,15)
InChIKeyGWVOJPLNTOEGMO-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.09
Rot. Bonds5

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

1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine (PubChem CID 111611968) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine
PubChem CID111611968
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)SC)NC1CC1C
InChIInChI=1S/C12H25N3S/c1-6-13-11(15-10-7-9(10)2)14-8-12(3,4)16-5/h9-10H,6-8H2,1-5H3,(H2,13,14,15)
InChIKeyGWVOJPLNTOEGMO-UHFFFAOYSA-N
XLogP2.09
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.09
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-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methylcyclopropyl)guanidine
CID 111608407
3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-2,2-dimethylpropanamide
CID 111963333
1-(2-cyanocyclopentyl)-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 119160505
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methylcyclopropyl)guanidine
CID 111671934
1-ethyl-3-(2-methylcyclopropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111963363
1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111582818
N-tert-butyl-2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111383755
1-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)guanidine
CID 111654374
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111657763
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-prop-2-enylguanidine
CID 111609594
3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide
CID 111961971
1-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111654373

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine (CID 111611968) is 1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine is CCN/C(=N\CC(C)(C)SC)NC1CC1C.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine?
The InChIKey is GWVOJPLNTOEGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-6-13-11(15-10-7-9(10)2)14-8-12(3,4)16-5/h9-10H,6-8H2,1-5H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine?
1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine has a molecular weight of 243.42 g/mol, XLogP of 2.09, 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-methylcyclopropyl)-2-(2-methyl-2-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 111611968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).