2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

C16H33IN4 — CID 136925487

IUPAC2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CCCN1CC(C)CC(C)C1)NCC.I
InChIInChI=1S/C16H32N4.HI/c1-5-8-18-16(17-6-2)19-9-7-10-20-12-14(3)11-15(4)13-20;/h5,14-15H,1,6-13H2,2-4H3,(H2,17,18,19);1H
InChIKeyJIUDOKBJNBUIBG-UHFFFAOYSA-N
MW408.37 g/mol
LogP2.71
Rot. Bonds7

About 2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 136925487) has the molecular formula C16H33IN4 and a molecular weight of 408.37 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID136925487
Molecular FormulaC16H33IN4
Molecular Weight408.37 g/mol
Exact Mass408.17
IUPAC Name2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CCCN1CC(C)CC(C)C1)NCC.I
InChIInChI=1S/C16H32N4.HI/c1-5-8-18-16(17-6-2)19-9-7-10-20-12-14(3)11-15(4)13-20;/h5,14-15H,1,6-13H2,2-4H3,(H2,17,18,19);1H
InChIKeyJIUDOKBJNBUIBG-UHFFFAOYSA-N
XLogP2.71
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;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

1-ethyl-2-[4-(3-methylpiperidin-1-yl)butyl]-3-prop-2-enylguanidine;hydroiodide
CID 136925529
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111224528
1-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 136925929
2-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111962905
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224529
2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318771
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine;hydroiodide
CID 111278458
2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652578
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 136921964
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146854
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine
CID 111278459
ethyl 4-[[N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327684

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (CID 136925487) is 2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N/CCCN1CC(C)CC(C)C1)NCC.I.
What is the InChIKey of 2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is JIUDOKBJNBUIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4.HI/c1-5-8-18-16(17-6-2)19-9-7-10-20-12-14(3)11-15(4)13-20;/h5,14-15H,1,6-13H2,2-4H3,(H2,17,18,19);1H.
What are the key properties of 2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 408.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 136925487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).