N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine

C12H26FN — CID 123257816

IUPACN,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN(CC)CC)C(C)F
InChIInChI=1S/C12H26FN/c1-6-9-12(5,11(4)13)10-14(7-2)8-3/h11H,6-10H2,1-5H3
InChIKeyGXWZROAQERGTMV-UHFFFAOYSA-N
MW203.34 g/mol
LogP3.49
Rot. Bonds7

About N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine

N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine (PubChem CID 123257816) has the molecular formula C12H26FN and a molecular weight of 203.34 g/mol. Its IUPAC name is N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine
PubChem CID123257816
Molecular FormulaC12H26FN
Molecular Weight203.34 g/mol
Exact Mass203.20
IUPAC NameN,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN(CC)CC)C(C)F
InChIInChI=1S/C12H26FN/c1-6-9-12(5,11(4)13)10-14(7-2)8-3/h11H,6-10H2,1-5H3
InChIKeyGXWZROAQERGTMV-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine
CID 135037327
n,n,3,3-Tetramethylheptan-1-amine
CID 256478
N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine
CID 20811854
1-(4,4-Dimethylpentyl)-3-fluoroazetidine
CID 57979627
(3R)-4-(2,2-dimethylpropyl)-1-ethyl-3-fluoropiperidine
CID 58286788
(3R)-4-(2,2-dimethylpropyl)-3-fluoro-1-methylpiperidine
CID 58286851
(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 58473066
4-(2,2-Dimethylpropyl)-1-ethyl-4-fluoropiperidine
CID 58530447
4-(2,2-Dimethylpropyl)-4-fluoro-1-methylpiperidine
CID 58530588
4-(2,2-Dimethylpropyl)-4-fluoro-1-propylpiperidine
CID 58530744
3-Ethyl-3-(fluoromethyl)-1-methylpyrrolidine
CID 58945070
3-(2,2-Dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 76797082

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine?
The IUPAC name of N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine (CID 123257816) is N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine.
What is the SMILES notation for N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine?
The canonical SMILES for N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine is CCCC(C)(CN(CC)CC)C(C)F.
What is the InChIKey of N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine?
The InChIKey is GXWZROAQERGTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FN/c1-6-9-12(5,11(4)13)10-14(7-2)8-3/h11H,6-10H2,1-5H3.
What are the key properties of N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine?
N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine has a molecular weight of 203.34 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-fluoroethyl)-2-methylpentan-1-amine is sourced from PubChem (CID 123257816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).