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

C12H21F3N2 — CID 114490131

IUPAC2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-11(2,3)16-6-9-17-7-4-10(5-8-17)12(13,14)15/h4,16H,5-9H2,1-3H3
InChIKeyUCGDPIZJNIDLDO-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.57
Rot. Bonds3

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

2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine (PubChem CID 114490131) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine
PubChem CID114490131
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-11(2,3)16-6-9-17-7-4-10(5-8-17)12(13,14)15/h4,16H,5-9H2,1-3H3
InChIKeyUCGDPIZJNIDLDO-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.57
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

2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine
CID 12700151
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine
CID 90110608
1-[[3,7-Dimethyl-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]piperazine
CID 123832271
(1S,2S)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429382
(1R,2R)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429404
(1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134438486
N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
CID 143303397
1-[(3E,5Z)-5-methyl-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine
CID 144888846
1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine
CID 144888887
(1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 146526665
1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine
CID 156572553

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine (CID 114490131) is 2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine is CC(C)(C)NCCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine?
The InChIKey is UCGDPIZJNIDLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-11(2,3)16-6-9-17-7-4-10(5-8-17)12(13,14)15/h4,16H,5-9H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine has a molecular weight of 250.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 114490131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).