N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide

C18H37IN6 — CID 110062182

IUPACN'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCCC/N=C(\N)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C18H36N6.HI/c19-17(23-13-7-3-8-14-23)21-11-5-1-2-6-12-22-18(20)24-15-9-4-10-16-24;/h1-16H2,(H2,19,21)(H2,20,22);1H
InChIKeyLGRHNQVVSKOBGK-UHFFFAOYSA-N
MW464.44 g/mol
LogP2.77
Rot. Bonds7

About N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide

N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110062182) has the molecular formula C18H37IN6 and a molecular weight of 464.44 g/mol. Its IUPAC name is N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110062182
Molecular FormulaC18H37IN6
Molecular Weight464.44 g/mol
Exact Mass464.21
IUPAC NameN'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCCC/N=C(\N)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C18H36N6.HI/c19-17(23-13-7-3-8-14-23)21-11-5-1-2-6-12-22-18(20)24-15-9-4-10-16-24;/h1-16H2,(H2,19,21)(H2,20,22);1H
InChIKeyLGRHNQVVSKOBGK-UHFFFAOYSA-N
XLogP2.77
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
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'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
methyl 7-[[amino(piperidin-1-yl)methylidene]amino]heptanoate;hydroiodide
CID 111040598
N'-(4-cyclopentylbutyl)piperidine-1-carboximidamide
CID 111814768
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111025415
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
N'-[4-[methyl(propan-2-yl)amino]butyl]azepane-1-carboximidamide;hydroiodide
CID 86779285
N'-propylazocane-1-carboximidamide
CID 62361040
tert-butyl 6-[[amino(piperidin-1-yl)methylidene]amino]hexanoate;hydroiodide
CID 111816215

Frequently Asked Questions

What is the IUPAC name of N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide (CID 110062182) is N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCCCCC/N=C(\N)N1CCCCC1)N1CCCCC1.
What is the InChIKey of N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is LGRHNQVVSKOBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6.HI/c19-17(23-13-7-3-8-14-23)21-11-5-1-2-6-12-22-18(20)24-15-9-4-10-16-24;/h1-16H2,(H2,19,21)(H2,20,22);1H.
What are the key properties of N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide?
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 464.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110062182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).