N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide

C13H27IN4 — CID 111034812

IUPACN'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCN1CCCC1)N1CCCCC1
InChIInChI=1S/C13H26N4.HI/c14-13(17-11-2-1-3-12-17)15-7-6-10-16-8-4-5-9-16;/h1-12H2,(H2,14,15);1H
InChIKeyHLPIMROJDKMIAI-UHFFFAOYSA-N
MW366.29 g/mol
LogP1.89
Rot. Bonds4

About N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide

N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111034812) has the molecular formula C13H27IN4 and a molecular weight of 366.29 g/mol. Its IUPAC name is N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111034812
Molecular FormulaC13H27IN4
Molecular Weight366.29 g/mol
Exact Mass366.13
IUPAC NameN'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCN1CCCC1)N1CCCCC1
InChIInChI=1S/C13H26N4.HI/c14-13(17-11-2-1-3-12-17)15-7-6-10-16-8-4-5-9-16;/h1-12H2,(H2,14,15);1H
InChIKeyHLPIMROJDKMIAI-UHFFFAOYSA-N
XLogP1.89
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
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'}

Analyze N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;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

N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111091687
N'-(3-pyrrolidin-1-ylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111034808
N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111091688
4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111059813
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111025415

Frequently Asked Questions

What is the IUPAC name of N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide (CID 111034812) is N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCCN1CCCC1)N1CCCCC1.
What is the InChIKey of N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is HLPIMROJDKMIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4.HI/c14-13(17-11-2-1-3-12-17)15-7-6-10-16-8-4-5-9-16;/h1-12H2,(H2,14,15);1H.
What are the key properties of N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 366.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111034812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).