N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C17H31IN4O — CID 111510756

IUPACN',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCC(CC)c1cc(CN/C(=N\C)N2CCCC(C)C2)on1.I
InChIInChI=1S/C17H30N4O.HI/c1-5-14(6-2)16-10-15(22-20-16)11-19-17(18-4)21-9-7-8-13(3)12-21;/h10,13-14H,5-9,11-12H2,1-4H3,(H,18,19);1H
InChIKeyFNISNGQXAIOZFT-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.00
Rot. Bonds5

About N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide

N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111510756) has the molecular formula C17H31IN4O and a molecular weight of 434.37 g/mol. Its IUPAC name is N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111510756
Molecular FormulaC17H31IN4O
Molecular Weight434.37 g/mol
Exact Mass434.15
IUPAC NameN',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCC(CC)c1cc(CN/C(=N\C)N2CCCC(C)C2)on1.I
InChIInChI=1S/C17H30N4O.HI/c1-5-14(6-2)16-10-15(22-20-16)11-19-17(18-4)21-9-7-8-13(3)12-21;/h10,13-14H,5-9,11-12H2,1-4H3,(H,18,19);1H
InChIKeyFNISNGQXAIOZFT-UHFFFAOYSA-N
XLogP4.00
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111820137
2-[4-[N'-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]piperazin-1-yl]-N-propan-2-ylacetamide;hydroiodide
CID 111517513
N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide
CID 119130050
N'-methyl-2-(2-methylphenyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]morpholine-4-carboximidamide
CID 109481009
N'-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111512351
ethyl 4-[N'-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111511251
2-methyl-1-(4-methylcyclohexyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111513535
N'-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperazine-1-carboximidamide
CID 111518385
(3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 95967964
1-[(1-ethylpiperidin-3-yl)methyl]-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111674686
1-cyclohexyl-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111493182
N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119143353

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111510756) is N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide is CCC(CC)c1cc(CN/C(=N\C)N2CCCC(C)C2)on1.I.
What is the InChIKey of N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is FNISNGQXAIOZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O.HI/c1-5-14(6-2)16-10-15(22-20-16)11-19-17(18-4)21-9-7-8-13(3)12-21;/h10,13-14H,5-9,11-12H2,1-4H3,(H,18,19);1H.
What are the key properties of N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 434.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111510756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).