N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine

C10H21FN2 — CID 59289511

IUPACN-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCCN(C(C)C)C1CN(C)CC1F
InChIInChI=1S/C10H21FN2/c1-5-13(8(2)3)10-7-12(4)6-9(10)11/h8-10H,5-7H2,1-4H3
InChIKeyNNYCYHUOOTYVHP-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.37
Rot. Bonds3

About N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine

N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 59289511) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID59289511
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC NameN-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCCN(C(C)C)C1CN(C)CC1F
InChIInChI=1S/C10H21FN2/c1-5-13(8(2)3)10-7-12(4)6-9(10)11/h8-10H,5-7H2,1-4H3
InChIKeyNNYCYHUOOTYVHP-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine (CID 59289511) is N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine is CCN(C(C)C)C1CN(C)CC1F.
What is the InChIKey of N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is NNYCYHUOOTYVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-5-13(8(2)3)10-7-12(4)6-9(10)11/h8-10H,5-7H2,1-4H3.
What are the key properties of N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 188.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 59289511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).