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

C14H25F3N2 — CID 114490156

IUPAC4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine
SMILESCC(C)CC(CN)CCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-11(2)9-12(10-18)3-6-19-7-4-13(5-8-19)14(15,16)17/h4,11-12H,3,5-10,18H2,1-2H3
InChIKeyKQHAFMNMPIFXMP-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.19
Rot. Bonds6

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

4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine (PubChem CID 114490156) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine
PubChem CID114490156
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine
SMILESCC(C)CC(CN)CCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-11(2)9-12(10-18)3-6-19-7-4-13(5-8-19)14(15,16)17/h4,11-12H,3,5-10,18H2,1-2H3
InChIKeyKQHAFMNMPIFXMP-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.19
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

5-(aminomethyl)-3-fluoro-N,N-dimethylcyclohex-2-en-1-amine
CID 117694656
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
4-Propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118697089
N-methyl-3-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-amine
CID 142009393
4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 155484976
1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine
CID 162578645
N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine
CID 163500206
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 163521059
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine
CID 172353948
5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine
CID 174001569
1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 176702205
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine;ethane
CID 177353262

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine (CID 114490156) is 4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine is CC(C)CC(CN)CCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine?
The InChIKey is KQHAFMNMPIFXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-11(2)9-12(10-18)3-6-19-7-4-13(5-8-19)14(15,16)17/h4,11-12H,3,5-10,18H2,1-2H3.
What are the key properties of 4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine?
4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pentan-1-amine is sourced from PubChem (CID 114490156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).