N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide

C17H35N3O2 — CID 111499233

IUPACN'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
SMILESCCCCOCCOCC/N=C(\NCC)N1CCCC(C)C1
InChIInChI=1S/C17H35N3O2/c1-4-6-11-21-13-14-22-12-9-19-17(18-5-2)20-10-7-8-16(3)15-20/h16H,4-15H2,1-3H3,(H,18,19)
InChIKeyZFTRGGRGALNAGW-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.52
Rot. Bonds10

About N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide

N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide (PubChem CID 111499233) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
PubChem CID111499233
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC NameN'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
SMILESCCCCOCCOCC/N=C(\NCC)N1CCCC(C)C1
InChIInChI=1S/C17H35N3O2/c1-4-6-11-21-13-14-22-12-9-19-17(18-5-2)20-10-7-8-16(3)15-20/h16H,4-15H2,1-3H3,(H,18,19)
InChIKeyZFTRGGRGALNAGW-UHFFFAOYSA-N
XLogP2.52
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide
CID 111144570
N-[2-(2-butoxyethoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111499230
N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608
N-ethyl-3-methyl-N'-[3-(oxolan-2-ylmethoxy)propyl]piperidine-1-carboximidamide
CID 111145640
N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methylpiperidine-1-carboximidamide
CID 111145450
N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboximidamide
CID 111144884
N'-(2-butoxyethyl)-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728652
(3R)-N-ethyl-3-hydroxy-N'-[2-(2-methoxyethoxy)ethyl]pyrrolidine-1-carboximidamide
CID 111550608
N'-(2-butoxyethyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733854
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111693393

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide (CID 111499233) is N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide is CCCCOCCOCC/N=C(\NCC)N1CCCC(C)C1.
What is the InChIKey of N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide?
The InChIKey is ZFTRGGRGALNAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-4-6-11-21-13-14-22-12-9-19-17(18-5-2)20-10-7-8-16(3)15-20/h16H,4-15H2,1-3H3,(H,18,19).
What are the key properties of N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide?
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide has a molecular weight of 313.49 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111499233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).