4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine

C11H21F3N2 — CID 115513697

IUPAC4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
SMILESFC(F)(F)CCCNCCCN1CCCC1
InChIInChI=1S/C11H21F3N2/c12-11(13,14)5-3-6-15-7-4-10-16-8-1-2-9-16/h15H,1-10H2
InChIKeyLVXNNDFJARHTPB-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.40
Rot. Bonds7

About 4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine

4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine (PubChem CID 115513697) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
PubChem CID115513697
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
SMILESFC(F)(F)CCCNCCCN1CCCC1
InChIInChI=1S/C11H21F3N2/c12-11(13,14)5-3-6-15-7-4-10-16-8-1-2-9-16/h15H,1-10H2
InChIKeyLVXNNDFJARHTPB-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 115513486
1-(6,6,6-trifluorohexyl)piperidine
CID 71259183
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
N'-[3-[3-(azacyclotridec-1-yl)propylamino]propyl]butane-1,4-diamine
CID 10992253
2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol
CID 81414259
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol
CID 81414181
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
2-pyrrolidin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 116615541

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine (CID 115513697) is 4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine is FC(F)(F)CCCNCCCN1CCCC1.
What is the InChIKey of 4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine?
The InChIKey is LVXNNDFJARHTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c12-11(13,14)5-3-6-15-7-4-10-16-8-1-2-9-16/h15H,1-10H2.
What are the key properties of 4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine?
4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine has a molecular weight of 238.30 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine is sourced from PubChem (CID 115513697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).