N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C15H30IN3O — CID 111800079

IUPACN'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC(C)C1OCCCC1C/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C15H29N3O.HI/c1-12(2)14-13(7-6-10-19-14)11-17-15(16)18-8-4-3-5-9-18;/h12-14H,3-11H2,1-2H3,(H2,16,17);1H
InChIKeyXFNVOLPBVJNYQG-UHFFFAOYSA-N
MW395.33 g/mol
LogP2.86
Rot. Bonds3

About N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide

N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111800079) has the molecular formula C15H30IN3O and a molecular weight of 395.33 g/mol. Its IUPAC name is N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111800079
Molecular FormulaC15H30IN3O
Molecular Weight395.33 g/mol
Exact Mass395.14
IUPAC NameN'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC(C)C1OCCCC1C/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C15H29N3O.HI/c1-12(2)14-13(7-6-10-19-14)11-17-15(16)18-8-4-3-5-9-18;/h12-14H,3-11H2,1-2H3,(H2,16,17);1H
InChIKeyXFNVOLPBVJNYQG-UHFFFAOYSA-N
XLogP2.86
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1,1,3,3-tetramethyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine;hydroiodide
CID 111800069
1,1,3,3-tetramethyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800070
1,3-diethyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine;hydroiodide
CID 86813294
N'-[(3-methoxyoxan-4-yl)methyl]azepane-1-carboximidamide
CID 122097381
N'-[2-(oxan-2-yl)ethyl]azepane-1-carboximidamide;hydroiodide
CID 110018672
N'-[(2-tert-butyloxan-3-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816125
tert-butyl 4-[N'-[(2-tert-butyloxan-3-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111816141
1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800036
1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119146528
1-phenyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800092
N'-[[2-(methanesulfonamido)cyclohexyl]methyl]azepane-1-carboximidamide
CID 120973217
N'-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]azepane-1-carboximidamide;hydroiodide
CID 75495275

Frequently Asked Questions

What is the IUPAC name of N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111800079) is N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide is CC(C)C1OCCCC1C/N=C(\N)N1CCCCC1.I.
What is the InChIKey of N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is XFNVOLPBVJNYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.HI/c1-12(2)14-13(7-6-10-19-14)11-17-15(16)18-8-4-3-5-9-18;/h12-14H,3-11H2,1-2H3,(H2,16,17);1H.
What are the key properties of N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 395.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-propan-2-yloxan-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111800079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).