1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine

C10H17F3N2 — CID 142079069

IUPAC1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine
SMILESC=C(NC1CCN(CCC)C1)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-5-15-6-4-9(7-15)14-8(2)10(11,12)13/h9,14H,2-7H2,1H3
InChIKeyGTSQVMTXRXJUKY-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.14
Rot. Bonds4

About 1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine

1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine (PubChem CID 142079069) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine
PubChem CID142079069
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine
SMILESC=C(NC1CCN(CCC)C1)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-5-15-6-4-9(7-15)14-8(2)10(11,12)13/h9,14H,2-7H2,1H3
InChIKeyGTSQVMTXRXJUKY-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 61979671
N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine
CID 88919139
(3S)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine
CID 89688522
(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine
CID 89772473
N-(2-fluoroethyl)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine
CID 117709662
N-propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine
CID 117709671
(2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine
CID 142366002
3-(3,3-Difluoropyrrolidin-1-yl)but-3-en-2-amine
CID 156826826
methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 157275326
methane;(3R)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 157275327
methane;(3R)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine
CID 158536880
methane;(3S)-N-methyl-N-(4,4,4-trifluorobutyl)pyrrolidin-3-amine
CID 158536881

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine (CID 142079069) is 1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine is C=C(NC1CCN(CCC)C1)C(F)(F)F.
What is the InChIKey of 1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine?
The InChIKey is GTSQVMTXRXJUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-3-5-15-6-4-9(7-15)14-8(2)10(11,12)13/h9,14H,2-7H2,1H3.
What are the key properties of 1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine?
1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine has a molecular weight of 222.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 142079069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).