N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

C14H24IN3S — CID 111770709

IUPACN-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccsc1)N1CCCC1.I
InChIInChI=1S/C14H23N3S.HI/c1-3-15-14(17-7-4-5-8-17)16-10-12(2)13-6-9-18-11-13;/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,15,16);1H
InChIKeyOVNHFIGHUGHFOO-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.53
Rot. Bonds4

About N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111770709) has the molecular formula C14H24IN3S and a molecular weight of 393.34 g/mol. Its IUPAC name is N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111770709
Molecular FormulaC14H24IN3S
Molecular Weight393.34 g/mol
Exact Mass393.07
IUPAC NameN-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccsc1)N1CCCC1.I
InChIInChI=1S/C14H23N3S.HI/c1-3-15-14(17-7-4-5-8-17)16-10-12(2)13-6-9-18-11-13;/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,15,16);1H
InChIKeyOVNHFIGHUGHFOO-UHFFFAOYSA-N
XLogP3.53
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111758200
N-ethyl-4-(2-hydroxyphenyl)-N'-(2-phenylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111184535
4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962529
1-ethyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704596
1-ethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111702902
1-[2-(diethylamino)ethyl]-3-ethyl-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703565
1-ethyl-3-[3-(2-oxoazepan-1-yl)propyl]-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704359
1-[3-(diethylamino)propyl]-3-ethyl-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704375
1-ethyl-3-(2-prop-2-enylsulfanylethyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111702928
1-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111704643
N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide
CID 111500954
propan-2-yl 3-[[N-ethyl-N'-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]propanoate
CID 111704086

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111770709) is N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)c1ccsc1)N1CCCC1.I.
What is the InChIKey of N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is OVNHFIGHUGHFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S.HI/c1-3-15-14(17-7-4-5-8-17)16-10-12(2)13-6-9-18-11-13;/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,15,16);1H.
What are the key properties of N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 393.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-thiophen-3-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111770709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).