1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine

C9H16F2N2 — CID 80604673

IUPAC1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine
SMILESCNC1(C(F)F)CCN(C2CC2)C1
InChIInChI=1S/C9H16F2N2/c1-12-9(8(10)11)4-5-13(6-9)7-2-3-7/h7-8,12H,2-6H2,1H3
InChIKeyKZUNLDKXGAKKSA-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.08
Rot. Bonds3

About 1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine

1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine (PubChem CID 80604673) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine
PubChem CID80604673
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine
SMILESCNC1(C(F)F)CCN(C2CC2)C1
InChIInChI=1S/C9H16F2N2/c1-12-9(8(10)11)4-5-13(6-9)7-2-3-7/h7-8,12H,2-6H2,1H3
InChIKeyKZUNLDKXGAKKSA-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine (CID 80604673) is 1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine is CNC1(C(F)F)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine?
The InChIKey is KZUNLDKXGAKKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-12-9(8(10)11)4-5-13(6-9)7-2-3-7/h7-8,12H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine?
1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine has a molecular weight of 190.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(difluoromethyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 80604673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).