N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide

C18H32N4O — CID 111210893

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESCCN(CC)C(CN/C(=N\C)N1CCC(C)CC1)c1ccco1
InChIInChI=1S/C18H32N4O/c1-5-21(6-2)16(17-8-7-13-23-17)14-20-18(19-4)22-11-9-15(3)10-12-22/h7-8,13,15-16H,5-6,9-12,14H2,1-4H3,(H,19,20)
InChIKeyRHEQKAAYQAKUET-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide (PubChem CID 111210893) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
PubChem CID111210893
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESCCN(CC)C(CN/C(=N\C)N1CCC(C)CC1)c1ccco1
InChIInChI=1S/C18H32N4O/c1-5-21(6-2)16(17-8-7-13-23-17)14-20-18(19-4)22-11-9-15(3)10-12-22/h7-8,13,15-16H,5-6,9-12,14H2,1-4H3,(H,19,20)
InChIKeyRHEQKAAYQAKUET-UHFFFAOYSA-N
XLogP2.97
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111155136
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728311
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220205
tert-butyl N-[1-[N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111730694
N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920430
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983393
N-[2-(diethylamino)propyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211998
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111016865
N-[2-(dimethylamino)-2-phenylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111209926
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722706
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725784
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110977065

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide (CID 111210893) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide is CCN(CC)C(CN/C(=N\C)N1CCC(C)CC1)c1ccco1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide?
The InChIKey is RHEQKAAYQAKUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-5-21(6-2)16(17-8-7-13-23-17)14-20-18(19-4)22-11-9-15(3)10-12-22/h7-8,13,15-16H,5-6,9-12,14H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide has a molecular weight of 320.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111210893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).