N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine

C13H27FN2 — CID 145230288

IUPACN-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCC1(C)CCN(CCF)C1
InChIInChI=1S/C13H27FN2/c1-12(2)15(4)8-5-13(3)6-9-16(11-13)10-7-14/h12H,5-11H2,1-4H3
InChIKeyNTBAUVNNWSYZTP-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.40
Rot. Bonds6

About N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine

N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine (PubChem CID 145230288) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine
PubChem CID145230288
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC NameN-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCC1(C)CCN(CCF)C1
InChIInChI=1S/C13H27FN2/c1-12(2)15(4)8-5-13(3)6-9-16(11-13)10-7-14/h12H,5-11H2,1-4H3
InChIKeyNTBAUVNNWSYZTP-UHFFFAOYSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine (CID 145230288) is N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine is CC(C)N(C)CCC1(C)CCN(CCF)C1.
What is the InChIKey of N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine?
The InChIKey is NTBAUVNNWSYZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2/c1-12(2)15(4)8-5-13(3)6-9-16(11-13)10-7-14/h12H,5-11H2,1-4H3.
What are the key properties of N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine?
N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine has a molecular weight of 230.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-fluoroethyl)-3-methylpyrrolidin-3-yl]ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 145230288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).