1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid

C11H19F3N2O2 — CID 174922919

IUPAC1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCN(CCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2.C2HF3O2/c10-9-4-6-11(7-9)5-3-8-1-2-8;3-2(4,5)1(6)7/h8-9H,1-7,10H2;(H,6,7)
InChIKeyKSDLTZFIRYWWIY-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.45
Rot. Bonds3

About 1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid

1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 174922919) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID174922919
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCN(CCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2.C2HF3O2/c10-9-4-6-11(7-9)5-3-8-1-2-8;3-2(4,5)1(6)7/h8-9H,1-7,10H2;(H,6,7)
InChIKeyKSDLTZFIRYWWIY-UHFFFAOYSA-N
XLogP1.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122687416
1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 22254650
cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122677958
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
CID 131724001
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 119410017
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine
CID 115030408
6-(3-aminopyrrolidin-1-yl)hexan-3-one
CID 106801405
1-[(3-aminocyclopentyl)methyl]piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid
CID 18453467

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid (CID 174922919) is 1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid is NC1CCN(CCC2CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is KSDLTZFIRYWWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2HF3O2/c10-9-4-6-11(7-9)5-3-8-1-2-8;3-2(4,5)1(6)7/h8-9H,1-7,10H2;(H,6,7).
What are the key properties of 1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 268.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174922919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).