4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C10H19F3N2 — CID 106613835

IUPAC4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCN(CCCC(F)(F)F)CC1CCCN1
InChIInChI=1S/C10H19F3N2/c1-15(7-3-5-10(11,12)13)8-9-4-2-6-14-9/h9,14H,2-8H2,1H3
InChIKeyXZBXESKCLUSASX-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.01
Rot. Bonds5

About 4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine

4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106613835) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106613835
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCN(CCCC(F)(F)F)CC1CCCN1
InChIInChI=1S/C10H19F3N2/c1-15(7-3-5-10(11,12)13)8-9-4-2-6-14-9/h9,14H,2-8H2,1H3
InChIKeyXZBXESKCLUSASX-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
2,2-dimethyl-5-[methyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106613827
3-methoxy-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819506
N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 64570764
4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol
CID 106635214
6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine
CID 106605959
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590
2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 115514545
(2R)-2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 102820223
N-[(4-ethylpiperidin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 114431236
N-methyl-N-(piperidin-2-ylmethyl)hept-6-en-1-amine
CID 107008102

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106613835) is 4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine is CN(CCCC(F)(F)F)CC1CCCN1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is XZBXESKCLUSASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-15(7-3-5-10(11,12)13)8-9-4-2-6-14-9/h9,14H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 224.27 g/mol, XLogP of 2.01, 5 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-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106613835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).