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

C12H21F3N2 — CID 114490191

IUPAC4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
SMILESCC(C)CC(N)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-9(2)7-11(16)8-17-5-3-10(4-6-17)12(13,14)15/h3,9,11H,4-8,16H2,1-2H3
InChIKeyPXQDAMIVVZZXLP-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.55
Rot. Bonds4

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

4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine (PubChem CID 114490191) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
PubChem CID114490191
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
SMILESCC(C)CC(N)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-9(2)7-11(16)8-17-5-3-10(4-6-17)12(13,14)15/h3,9,11H,4-8,16H2,1-2H3
InChIKeyPXQDAMIVVZZXLP-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.55
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

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
(1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134438486
(1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 146526665
6,7-dimethyl-3-[(E)-7,7,7-trifluoro-6-methylhept-5-en-3-yl]-2,3,4,5-tetrahydro-1H-1,4-diazepine
CID 147795061
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 163521059
(2S)-1-N-[[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pentane-1,2,5-triamine
CID 163878228
6-(Difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 170613718
3,3-difluoro-4-propan-2-yl-2,6-dihydro-1H-pyridine
CID 172353948
3,3-Difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine;ethane
CID 177353252
3,3-Difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine
CID 177353253
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-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
The IUPAC name of 4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine (CID 114490191) is 4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine.
What is the SMILES notation for 4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
The canonical SMILES for 4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine is CC(C)CC(N)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
The InChIKey is PXQDAMIVVZZXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-9(2)7-11(16)8-17-5-3-10(4-6-17)12(13,14)15/h3,9,11H,4-8,16H2,1-2H3.
What are the key properties of 4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine has a molecular weight of 250.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine is sourced from PubChem (CID 114490191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).