N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine

C13H27FN2 — CID 176601525

IUPACN-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine
SMILESCC(C)N(CCF)CCC1NCCC1(C)C
InChIInChI=1S/C13H27FN2/c1-11(2)16(10-7-14)9-5-12-13(3,4)6-8-15-12/h11-12,15H,5-10H2,1-4H3
InChIKeyGWLOJPMCEYWWSD-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine

N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine (PubChem CID 176601525) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine
PubChem CID176601525
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC NameN-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine
SMILESCC(C)N(CCF)CCC1NCCC1(C)C
InChIInChI=1S/C13H27FN2/c1-11(2)16(10-7-14)9-5-12-13(3,4)6-8-15-12/h11-12,15H,5-10H2,1-4H3
InChIKeyGWLOJPMCEYWWSD-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Tert-butylpyrrolidine
CID 4331746
2-Methyl-2,7-diazaspiro[4.5]decane
CID 20713879
7-Methyl-2,7-diazaspiro(4.5)decane
CID 55265305
6-Methyl-6-azaspiro[3.4]octan-8-amine
CID 58803035
2-Tert-butyl-4,4-dimethylpyrrolidine
CID 83635445
2-Ethyl-4,4-dimethylpyrrolidine
CID 11400773
3,3,3-Trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
CID 20763674
2-[(3-Fluoropyrrolidin-1-yl)methyl]-3,3-dimethylpiperidine
CID 23190305
2-[(3-Fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine
CID 23190315
2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,4-dimethylpiperidine
CID 57102764
(3R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine
CID 58473034
(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine
CID 58473063

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine?
The IUPAC name of N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine (CID 176601525) is N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine.
What is the SMILES notation for N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine?
The canonical SMILES for N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine is CC(C)N(CCF)CCC1NCCC1(C)C.
What is the InChIKey of N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine?
The InChIKey is GWLOJPMCEYWWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2/c1-11(2)16(10-7-14)9-5-12-13(3,4)6-8-15-12/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine?
N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine has a molecular weight of 230.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl]-N-(2-fluoroethyl)propan-2-amine is sourced from PubChem (CID 176601525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).