N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine

C10H20FN2+ — CID 138974986

IUPACN-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine
SMILESCCN(CC)C(F)=[N+]1CCCCC1
InChIInChI=1S/C10H20FN2/c1-3-12(4-2)10(11)13-8-6-5-7-9-13/h3-9H2,1-2H3/q+1
InChIKeyLECKIRWNKDFBRU-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.85
Rot. Bonds2

About N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine

N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine (PubChem CID 138974986) has the molecular formula C10H20FN2+ and a molecular weight of 187.28 g/mol. Its IUPAC name is N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine
PubChem CID138974986
Molecular FormulaC10H20FN2+
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine
SMILESCCN(CC)C(F)=[N+]1CCCCC1
InChIInChI=1S/C10H20FN2/c1-3-12(4-2)10(11)13-8-6-5-7-9-13/h3-9H2,1-2H3/q+1
InChIKeyLECKIRWNKDFBRU-UHFFFAOYSA-N
XLogP1.85
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]-N-ethylethanamine hexafluorophosphate
CID 11566195
N,N,N',N'-tetrabutyl-1-pyrrolidin-1-ium-1-ylidenemethanediamine
CID 13127921
1-N,1-N,1-N',1-N',2-N,2-N,2-N',2-N'-octaethylethene-1,1,2,2-tetramine
CID 101365533
N,N-diethylethanamine;hypofluorous acid
CID 157218487
1-octan-3-ylidenepyrrolidin-1-ium
CID 101429224
cyclopropane;ethanol
CID 66653568
cyclotricosane;ethanol
CID 159804835
N',N'-diethyl-N-methyl-1-morpholin-4-ium-4-ylidene-N-octylmethanediamine
CID 13128029
2-piperidin-1-ium-1-ylidenepropanoic acid
CID 23108259
N-ethyl-N-(2-ethylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242290
sodium;diethylcarbamic acid;hydride
CID 174452447
azane;cyclopropane;N,N-diethylethanamine;hydrochloride
CID 174766086

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine (CID 138974986) is N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine is CCN(CC)C(F)=[N+]1CCCCC1.
What is the InChIKey of N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine?
The InChIKey is LECKIRWNKDFBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN2/c1-3-12(4-2)10(11)13-8-6-5-7-9-13/h3-9H2,1-2H3/q+1.
What are the key properties of N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine?
N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine has a molecular weight of 187.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine is sourced from PubChem (CID 138974986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).