N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide

C13H28IN3 — CID 111800631

IUPACN'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCC(CC)C/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C13H27N3.HI/c1-4-12(5-2)10-15-13(14)16-8-6-11(3)7-9-16;/h11-12H,4-10H2,1-3H3,(H2,14,15);1H
InChIKeyWQIFZVFPIVOERJ-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.09
Rot. Bonds4

About N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111800631) has the molecular formula C13H28IN3 and a molecular weight of 353.29 g/mol. Its IUPAC name is N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111800631
Molecular FormulaC13H28IN3
Molecular Weight353.29 g/mol
Exact Mass353.13
IUPAC NameN'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCC(CC)C/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C13H27N3.HI/c1-4-12(5-2)10-15-13(14)16-8-6-11(3)7-9-16;/h11-12H,4-10H2,1-3H3,(H2,14,15);1H
InChIKeyWQIFZVFPIVOERJ-UHFFFAOYSA-N
XLogP3.09
TPSA41.62 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 ≤ 53.09
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

4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
4-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919840
4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110927363
4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920030
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 110920904
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111086012
N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920495
N'-ethyl-3-methylpyrrolidine-1-carboximidamide
CID 62362781
N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide
CID 110920781
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 111800631) is N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide is CCC(CC)C/N=C(\N)N1CCC(C)CC1.I.
What is the InChIKey of N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is WQIFZVFPIVOERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.HI/c1-4-12(5-2)10-15-13(14)16-8-6-11(3)7-9-16;/h11-12H,4-10H2,1-3H3,(H2,14,15);1H.
What are the key properties of N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 353.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111800631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).