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

C10H21FN2 — CID 21030131

IUPACN-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCN1CCC(F)C1
InChIInChI=1S/C10H21FN2/c1-10(2,3)12-5-7-13-6-4-9(11)8-13/h9,12H,4-8H2,1-3H3
InChIKeyUJRZHNQKRYYRFB-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.42
Rot. Bonds3

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

N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 21030131) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
PubChem CID21030131
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC NameN-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCN1CCC(F)C1
InChIInChI=1S/C10H21FN2/c1-10(2,3)12-5-7-13-6-4-9(11)8-13/h9,12H,4-8H2,1-3H3
InChIKeyUJRZHNQKRYYRFB-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine (CID 21030131) is N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCN1CCC(F)C1.
What is the InChIKey of N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is UJRZHNQKRYYRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-10(2,3)12-5-7-13-6-4-9(11)8-13/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 188.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 21030131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).