N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine

C12H23FN2 — CID 59289519

IUPACN-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(C1CC1)C1CC(CF)N(C)C1
InChIInChI=1S/C12H23FN2/c1-9(2)15(10-4-5-10)12-6-11(7-13)14(3)8-12/h9-12H,4-8H2,1-3H3
InChIKeyZYDDDFNBQBBVMI-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.90
Rot. Bonds4

About N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine

N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 59289519) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID59289519
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC NameN-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(C1CC1)C1CC(CF)N(C)C1
InChIInChI=1S/C12H23FN2/c1-9(2)15(10-4-5-10)12-6-11(7-13)14(3)8-12/h9-12H,4-8H2,1-3H3
InChIKeyZYDDDFNBQBBVMI-UHFFFAOYSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine (CID 59289519) is N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine is CC(C)N(C1CC1)C1CC(CF)N(C)C1.
What is the InChIKey of N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is ZYDDDFNBQBBVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-9(2)15(10-4-5-10)12-6-11(7-13)14(3)8-12/h9-12H,4-8H2,1-3H3.
What are the key properties of N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 214.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 59289519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).