N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide

C11H24IN3O — CID 91642293

IUPACN'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOCCC/N=C(\N)N1CCCC(C)C1.I
InChIInChI=1S/C11H23N3O.HI/c1-10-5-3-7-14(9-10)11(12)13-6-4-8-15-2;/h10H,3-9H2,1-2H3,(H2,12,13);1H
InChIKeyGNBHISBJRLQXJJ-UHFFFAOYSA-N
MW341.24 g/mol
LogP1.69
Rot. Bonds4

About N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 91642293) has the molecular formula C11H24IN3O and a molecular weight of 341.24 g/mol. Its IUPAC name is N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID91642293
Molecular FormulaC11H24IN3O
Molecular Weight341.24 g/mol
Exact Mass341.10
IUPAC NameN'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOCCC/N=C(\N)N1CCCC(C)C1.I
InChIInChI=1S/C11H23N3O.HI/c1-10-5-3-7-14(9-10)11(12)13-6-4-8-15-2;/h10H,3-9H2,1-2H3,(H2,12,13);1H
InChIKeyGNBHISBJRLQXJJ-UHFFFAOYSA-N
XLogP1.69
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 51.69
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'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide
CID 111095284
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
N-ethyl-N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144639
3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide
CID 111818472
ethyl 4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 111025639
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111098316
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
CID 111084919
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide
CID 111060005

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 91642293) is N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide is COCCC/N=C(\N)N1CCCC(C)C1.I.
What is the InChIKey of N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is GNBHISBJRLQXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.HI/c1-10-5-3-7-14(9-10)11(12)13-6-4-8-15-2;/h10H,3-9H2,1-2H3,(H2,12,13);1H.
What are the key properties of N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 341.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 91642293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).