1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid

C9H15F3N2O2 — CID 122687416

IUPAC1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCN(C2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2.C2HF3O2/c8-6-3-4-9(5-6)7-1-2-7;3-2(4,5)1(6)7/h6-7H,1-5,8H2;(H,6,7)
InChIKeyNQVVKQRZFYTGID-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.82
Rot. Bonds1

About 1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid

1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 122687416) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID122687416
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCN(C2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2.C2HF3O2/c8-6-3-4-9(5-6)7-1-2-7;3-2(4,5)1(6)7/h6-7H,1-5,8H2;(H,6,7)
InChIKeyNQVVKQRZFYTGID-UHFFFAOYSA-N
XLogP0.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
CID 66799053
4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
CID 68601866
cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid
CID 71116090
1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 129406555
1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 174922919
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
(3R)-1-cyclopentylpyrrolidin-3-amine;hydrochloride
CID 90422333
bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride
CID 173089103
(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122677958
tert-butyl 4-[(3R)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 34178457
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid (CID 122687416) is 1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid is NC1CCN(C2CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is NQVVKQRZFYTGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2HF3O2/c8-6-3-4-9(5-6)7-1-2-7;3-2(4,5)1(6)7/h6-7H,1-5,8H2;(H,6,7).
What are the key properties of 1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 240.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122687416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).