N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide

C15H31N3O — CID 111144570

IUPACN-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CCCCCOC)N1CCCC(C)C1
InChIInChI=1S/C15H31N3O/c1-4-16-15(17-10-6-5-7-12-19-3)18-11-8-9-14(2)13-18/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeyMHJYTKZVUBBOMM-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.50
Rot. Bonds7

About N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide

N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide (PubChem CID 111144570) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide
PubChem CID111144570
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CCCCCOC)N1CCCC(C)C1
InChIInChI=1S/C15H31N3O/c1-4-16-15(17-10-6-5-7-12-19-3)18-11-8-9-14(2)13-18/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeyMHJYTKZVUBBOMM-UHFFFAOYSA-N
XLogP2.50
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.50
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-ethyl-N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144639
N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methylpiperidine-1-carboximidamide
CID 111145450
(3R)-N-ethyl-3-hydroxy-N'-(5-methoxypentyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111550087
ethyl 1-[N-ethyl-N'-(5-methoxypentyl)carbamimidoyl]piperidine-3-carboxylate
CID 110993587
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111499233
N-ethyl-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212086
N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111145412
N-ethyl-3-methyl-N'-[3-(oxolan-2-ylmethoxy)propyl]piperidine-1-carboximidamide
CID 111145640
N-ethyl-N'-[4-(3-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955493
N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111145411
methyl 1-[N-ethyl-N'-(5-methoxypentyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254700
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboximidamide
CID 111144884

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide (CID 111144570) is N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide is CCN/C(=N\CCCCCOC)N1CCCC(C)C1.
What is the InChIKey of N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide?
The InChIKey is MHJYTKZVUBBOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-16-15(17-10-6-5-7-12-19-3)18-11-8-9-14(2)13-18/h14H,4-13H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide?
N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide has a molecular weight of 269.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111144570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).