N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide

C13H28IN3O — CID 111025862

IUPACN'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCCCOCCC/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C13H27N3O.HI/c1-2-3-11-17-12-7-8-15-13(14)16-9-5-4-6-10-16;/h2-12H2,1H3,(H2,14,15);1H
InChIKeyANGJEAXWDXWENA-UHFFFAOYSA-N
MW369.29 g/mol
LogP2.61
Rot. Bonds7

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

N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111025862) has the molecular formula C13H28IN3O and a molecular weight of 369.29 g/mol. Its IUPAC name is N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111025862
Molecular FormulaC13H28IN3O
Molecular Weight369.29 g/mol
Exact Mass369.13
IUPAC NameN'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCCCOCCC/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C13H27N3O.HI/c1-2-3-11-17-12-7-8-15-13(14)16-9-5-4-6-10-16;/h2-12H2,1H3,(H2,14,15);1H
InChIKeyANGJEAXWDXWENA-UHFFFAOYSA-N
XLogP2.61
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 52.61
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'}

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Related Compounds

N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide
CID 110018616
tert-butyl 4-[N'-(3-butoxypropyl)carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111025840
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-propylazocane-1-carboximidamide
CID 62361040
N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-(3-butoxypropyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111025856
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111025415
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
ethyl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate
CID 111025670
N'-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]azepane-1-carboximidamide
CID 99849009

Frequently Asked Questions

What is the IUPAC name of N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide (CID 111025862) is N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide is CCCCOCCC/N=C(\N)N1CCCCC1.I.
What is the InChIKey of N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is ANGJEAXWDXWENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.HI/c1-2-3-11-17-12-7-8-15-13(14)16-9-5-4-6-10-16;/h2-12H2,1H3,(H2,14,15);1H.
What are the key properties of N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide?
N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 369.29 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111025862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).