N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide

C13H28IN3 — CID 109490391

IUPACN-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC)C1.I
InChIInChI=1S/C13H27N3.HI/c1-5-8-13(3)9-7-10-16(11-13)12(14-4)15-6-2;/h5-11H2,1-4H3,(H,14,15);1H
InChIKeyAGIZCWSNCYXKLS-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.10
Rot. Bonds3

About N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide

N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490391) has the molecular formula C13H28IN3 and a molecular weight of 353.29 g/mol. Its IUPAC name is N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109490391
Molecular FormulaC13H28IN3
Molecular Weight353.29 g/mol
Exact Mass353.13
IUPAC NameN-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC)C1.I
InChIInChI=1S/C13H27N3.HI/c1-5-8-13(3)9-7-10-16(11-13)12(14-4)15-6-2;/h5-11H2,1-4H3,(H,14,15);1H
InChIKeyAGIZCWSNCYXKLS-UHFFFAOYSA-N
XLogP3.10
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': '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-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 109490186
N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 109490187
N'-(2,2-difluoroethyl)-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490464
N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490574
N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490708
N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490928
N-(3-fluoropropyl)-N'-methyl-2-azaspiro[5.6]dodecane-2-carboximidamide
CID 109555502
N-(2,2-difluoroethyl)-N'-methyl-2-azaspiro[5.6]dodecane-2-carboximidamide
CID 109555722
4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide
CID 20592815
1-[4-(3,5-Dimethylpiperidin-1-yl)butyl]-2,3-dimethylguanidine
CID 53561283
N-cyano-4-(2,2-dimethylpropyl)-N'-propylpiperidine-1-carboximidamide
CID 57588660
8-(4,5-dihydro-1H-imidazol-2-yl)-8-azaspiro[4.5]decane
CID 58525397

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490391) is N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/C)NCC)C1.I.
What is the InChIKey of N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is AGIZCWSNCYXKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.HI/c1-5-8-13(3)9-7-10-16(11-13)12(14-4)15-6-2;/h5-11H2,1-4H3,(H,14,15);1H.
What are the key properties of N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 353.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).