N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide

C13H27N3O — CID 110920452

IUPACN'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
SMILESCOCCCCC/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C13H27N3O/c1-12-6-9-16(10-7-12)13(14)15-8-4-3-5-11-17-2/h12H,3-11H2,1-2H3,(H2,14,15)
InChIKeyRAAMJOHUXFXTSR-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.85
Rot. Bonds6

About N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide

N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide (PubChem CID 110920452) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
PubChem CID110920452
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
SMILESCOCCCCC/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C13H27N3O/c1-12-6-9-16(10-7-12)13(14)15-8-4-3-5-11-17-2/h12H,3-11H2,1-2H3,(H2,14,15)
InChIKeyRAAMJOHUXFXTSR-UHFFFAOYSA-N
XLogP1.85
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.85
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'}

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Related Compounds

N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide
CID 111087620
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide
CID 111095284
N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920087
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520

Frequently Asked Questions

What is the IUPAC name of N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide (CID 110920452) is N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide is COCCCCC/N=C(\N)N1CCC(C)CC1.
What is the InChIKey of N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide?
The InChIKey is RAAMJOHUXFXTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12-6-9-16(10-7-12)13(14)15-8-4-3-5-11-17-2/h12H,3-11H2,1-2H3,(H2,14,15).
What are the key properties of N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide?
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide has a molecular weight of 241.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110920452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).