1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine

C14H24N4S — CID 111257605

IUPAC1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
SMILESC/N=C(/NCc1cccs1)NCC(C1CC1)N(C)C
InChIInChI=1S/C14H24N4S/c1-15-14(16-9-12-5-4-8-19-12)17-10-13(18(2)3)11-6-7-11/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H2,15,16,17)
InChIKeyZLIYZLXBYRJMCJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.75
Rot. Bonds6

About 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine

1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine (PubChem CID 111257605) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
PubChem CID111257605
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
SMILESC/N=C(/NCc1cccs1)NCC(C1CC1)N(C)C
InChIInChI=1S/C14H24N4S/c1-15-14(16-9-12-5-4-8-19-12)17-10-13(18(2)3)11-6-7-11/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H2,15,16,17)
InChIKeyZLIYZLXBYRJMCJ-UHFFFAOYSA-N
XLogP1.75
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.75
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-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359913
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900559
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 111666158
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673715
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257937
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[(2,4-dichlorophenyl)methyl]-2-methylguanidine
CID 111197586
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111355038
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111259559
1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111257332
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111865723
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198653
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine;hydroiodide
CID 111011272

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine (CID 111257605) is 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine is C/N=C(/NCc1cccs1)NCC(C1CC1)N(C)C.
What is the InChIKey of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine?
The InChIKey is ZLIYZLXBYRJMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-15-14(16-9-12-5-4-8-19-12)17-10-13(18(2)3)11-6-7-11/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine?
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine has a molecular weight of 280.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 111257605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).