2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine

C15H28N4S — CID 111041767

IUPAC2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESCC(C)CC(C/N=C(\N)NCCc1cccs1)N(C)C
InChIInChI=1S/C15H28N4S/c1-12(2)10-13(19(3)4)11-18-15(16)17-8-7-14-6-5-9-20-14/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H3,16,17,18)
InChIKeyINXLSKQIWFCABF-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.17
Rot. Bonds8

About 2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine

2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111041767) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID111041767
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESCC(C)CC(C/N=C(\N)NCCc1cccs1)N(C)C
InChIInChI=1S/C15H28N4S/c1-12(2)10-13(19(3)4)11-18-15(16)17-8-7-14-6-5-9-20-14/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H3,16,17,18)
InChIKeyINXLSKQIWFCABF-UHFFFAOYSA-N
XLogP2.17
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.17
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

2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111041502
2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111041738
2-[3-[benzyl(methyl)amino]butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111600359
2-[7-(dimethylamino)heptyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111084900
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111067338
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
2-[(2-methyltetrazol-5-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 120603223
1-[2-(dimethylamino)-4-methylpentyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
CID 111258551
2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111044052
1-[2-(dimethylamino)-4-methylpentyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258550
2-[4-(diethylamino)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111059984

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine (CID 111041767) is 2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine is CC(C)CC(C/N=C(\N)NCCc1cccs1)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is INXLSKQIWFCABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-12(2)10-13(19(3)4)11-18-15(16)17-8-7-14-6-5-9-20-14/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H3,16,17,18).
What are the key properties of 2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine?
2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 296.48 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-methylpentyl]-1-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111041767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).