2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide

C17H35IN4 — CID 111834508

IUPAC2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N\CC)NC1CCN(CCC)CC1.I
InChIInChI=1S/C17H34N4.HI/c1-4-7-14-13-16(14)20-17(18-6-3)19-15-8-11-21(10-5-2)12-9-15;/h14-16H,4-13H2,1-3H3,(H2,18,19,20);1H
InChIKeyIBJMECFBUASVME-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.22
Rot. Bonds7

About 2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide

2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide (PubChem CID 111834508) has the molecular formula C17H35IN4 and a molecular weight of 422.40 g/mol. Its IUPAC name is 2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
PubChem CID111834508
Molecular FormulaC17H35IN4
Molecular Weight422.40 g/mol
Exact Mass422.19
IUPAC Name2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N\CC)NC1CCN(CCC)CC1.I
InChIInChI=1S/C17H34N4.HI/c1-4-7-14-13-16(14)20-17(18-6-3)19-15-8-11-21(10-5-2)12-9-15;/h14-16H,4-13H2,1-3H3,(H2,18,19,20);1H
InChIKeyIBJMECFBUASVME-UHFFFAOYSA-N
XLogP3.22
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.22
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-(2-propylcyclopropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111713655
ethyl 4-[[N'-ethyl-N-(2-propylcyclopropyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111838324
2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019486
1-cyclopropyl-2-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318195
1-ethyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017649
1-ethyl-N-(2-propylcyclopropyl)piperidin-4-amine
CID 115901395
1-ethyl-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018414
1-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111780310
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017664
2-(2-butoxyethyl)-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019880
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019470
1-ethyl-2-(3-methylbutyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111018419

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
The IUPAC name of 2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide (CID 111834508) is 2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
The canonical SMILES for 2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide is CCCC1CC1N/C(=N\CC)NC1CCN(CCC)CC1.I.
What is the InChIKey of 2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
The InChIKey is IBJMECFBUASVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4.HI/c1-4-7-14-13-16(14)20-17(18-6-3)19-15-8-11-21(10-5-2)12-9-15;/h14-16H,4-13H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide has a molecular weight of 422.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-propylcyclopropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 111834508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).