3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine

C11H19F3N2 — CID 114490217

IUPAC3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
SMILESCC(C)C(N)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-8(2)10(15)7-16-5-3-9(4-6-16)11(12,13)14/h3,8,10H,4-7,15H2,1-2H3
InChIKeyGTMQMQHNENMCKZ-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.16
Rot. Bonds3

About 3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine

3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine (PubChem CID 114490217) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
PubChem CID114490217
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
SMILESCC(C)C(N)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-8(2)10(15)7-16-5-3-9(4-6-16)11(12,13)14/h3,8,10H,4-7,15H2,1-2H3
InChIKeyGTMQMQHNENMCKZ-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine
CID 123953279
N-[4-(1-aminoethyl)-6-(fluoromethyl)cyclohexa-2,4-dien-1-yl]-N',N'-diethylethane-1,2-diamine
CID 129289920
1-N,2-N-dimethyl-3-N-[(E)-2-methyl-3-(trifluoromethyl)hex-3-en-2-yl]propane-1,2,3-triamine
CID 167080212
2-N-[(E)-2-methyl-3-(trifluoromethyl)hex-3-en-2-yl]propane-1,2,3-triamine
CID 167080240
1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 102776258
3,3,3-trifluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]propan-1-amine
CID 103366475
2,2,2-trifluoro-N-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine
CID 106314826
(2S)-1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 112737123
4,4,4-trifluoro-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 113591603
3,3,3-trifluoro-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113591604
N-propan-2-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113591661
2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 113591675

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine?
The IUPAC name of 3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine (CID 114490217) is 3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine.
What is the SMILES notation for 3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine?
The canonical SMILES for 3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine is CC(C)C(N)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine?
The InChIKey is GTMQMQHNENMCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-8(2)10(15)7-16-5-3-9(4-6-16)11(12,13)14/h3,8,10H,4-7,15H2,1-2H3.
What are the key properties of 3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine?
3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine has a molecular weight of 236.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine is sourced from PubChem (CID 114490217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).