2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide

C16H29IN4S — CID 111798457

IUPAC2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
SMILESC/N=C(/NCCN1CCCCC1)NCC(C)c1cccs1.I
InChIInChI=1S/C16H28N4S.HI/c1-14(15-7-6-12-21-15)13-19-16(17-2)18-8-11-20-9-4-3-5-10-20;/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H2,17,18,19);1H
InChIKeyCXOHHNBDMHTHNM-UHFFFAOYSA-N
MW436.41 g/mol
LogP3.12
Rot. Bonds6

About 2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide

2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide (PubChem CID 111798457) has the molecular formula C16H29IN4S and a molecular weight of 436.41 g/mol. Its IUPAC name is 2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
PubChem CID111798457
Molecular FormulaC16H29IN4S
Molecular Weight436.41 g/mol
Exact Mass436.12
IUPAC Name2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
SMILESC/N=C(/NCCN1CCCCC1)NCC(C)c1cccs1.I
InChIInChI=1S/C16H28N4S.HI/c1-14(15-7-6-12-21-15)13-19-16(17-2)18-8-11-20-9-4-3-5-10-20;/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H2,17,18,19);1H
InChIKeyCXOHHNBDMHTHNM-UHFFFAOYSA-N
XLogP3.12
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 53.12
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 75420962
2-methyl-1-(2-piperidin-1-ylethyl)-3-(1-thiophen-2-ylethyl)guanidine
CID 75420963
2-methyl-1-(1-propylpiperidin-4-yl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111791692
2-methyl-1-(3-pyrrolidin-1-ylpropyl)-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703653
1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111987696
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111795328
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine
CID 111794615
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111028228
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111283703
2-methyl-1-(3-phenylpropyl)-3-(2-thiophen-2-ylpropyl)guanidine
CID 111793503
1-(3-butoxypropyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111794458
2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284148

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide (CID 111798457) is 2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide is C/N=C(/NCCN1CCCCC1)NCC(C)c1cccs1.I.
What is the InChIKey of 2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
The InChIKey is CXOHHNBDMHTHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S.HI/c1-14(15-7-6-12-21-15)13-19-16(17-2)18-8-11-20-9-4-3-5-10-20;/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of 2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide has a molecular weight of 436.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111798457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).