N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide

C13H28IN3 — CID 111210302

IUPACN',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCCCN/C(=N\C)N1CCC(C)CC1.I
InChIInChI=1S/C13H27N3.HI/c1-4-5-6-9-15-13(14-3)16-10-7-12(2)8-11-16;/h12H,4-11H2,1-3H3,(H,14,15);1H
InChIKeyWCPAGRLXJUXPHJ-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.10
Rot. Bonds4

About N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide

N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111210302) has the molecular formula C13H28IN3 and a molecular weight of 353.29 g/mol. Its IUPAC name is N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111210302
Molecular FormulaC13H28IN3
Molecular Weight353.29 g/mol
Exact Mass353.13
IUPAC NameN',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCCCN/C(=N\C)N1CCC(C)CC1.I
InChIInChI=1S/C13H27N3.HI/c1-4-5-6-9-15-13(14-3)16-10-7-12(2)8-11-16;/h12H,4-11H2,1-3H3,(H,14,15);1H
InChIKeyWCPAGRLXJUXPHJ-UHFFFAOYSA-N
XLogP3.10
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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',4-dimethyl-N-pentylpiperidine-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-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide
CID 111210317
N',4-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211910
N-(2-ethylsulfonylethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210016
N-(2-methoxyethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211562
N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide
CID 111211139
3-(methoxymethyl)-N'-methyl-N-pentylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737726
1-[4-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111212022
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N',4-dimethyl-N-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111212024
N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130831
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide (CID 111210302) is N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide is CCCCCN/C(=N\C)N1CCC(C)CC1.I.
What is the InChIKey of N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is WCPAGRLXJUXPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.HI/c1-4-5-6-9-15-13(14-3)16-10-7-12(2)8-11-16;/h12H,4-11H2,1-3H3,(H,14,15);1H.
What are the key properties of N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide?
N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 353.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111210302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).