N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide

C13H27N3O — CID 110920377

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

About N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide

N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide (PubChem CID 110920377) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
PubChem CID110920377
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
SMILESCCCCOCC/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C13H27N3O/c1-3-4-10-17-11-7-15-13(14)16-8-5-12(2)6-9-16/h12H,3-11H2,1-2H3,(H2,14,15)
InChIKeyAAMNPENXOAVCHE-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'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111025862
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111075047
N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920656
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111821827
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807
N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935415
N'-[3-[ethylsulfonyl(methyl)amino]propyl]-4-methylpiperidine-1-carboximidamide
CID 110920035

Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide (CID 110920377) is N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide is CCCCOCC/N=C(\N)N1CCC(C)CC1.
What is the InChIKey of N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide?
The InChIKey is AAMNPENXOAVCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-4-10-17-11-7-15-13(14)16-8-5-12(2)6-9-16/h12H,3-11H2,1-2H3,(H2,14,15).
What are the key properties of N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide?
N'-(2-butoxyethyl)-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'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110920377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).