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

C11H19F3N2 — CID 114490150

IUPACN,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
SMILESCNC(C)(C)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-10(2,15-3)8-16-6-4-9(5-7-16)11(12,13)14/h4,15H,5-8H2,1-3H3
InChIKeyBBWXNKOAJZPJHB-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.18
Rot. Bonds3

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

N,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine (PubChem CID 114490150) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
PubChem CID114490150
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
SMILESCNC(C)(C)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-10(2,15-3)8-16-6-4-9(5-7-16)11(12,13)14/h4,15H,5-8H2,1-3H3
InChIKeyBBWXNKOAJZPJHB-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 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 ≤ 52.18
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 N,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The IUPAC name of N,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine (CID 114490150) is N,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine.
What is the SMILES notation for N,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The canonical SMILES for N,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine is CNC(C)(C)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The InChIKey is BBWXNKOAJZPJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-10(2,15-3)8-16-6-4-9(5-7-16)11(12,13)14/h4,15H,5-8H2,1-3H3.
What are the key properties of N,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
N,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine has a molecular weight of 236.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine is sourced from PubChem (CID 114490150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).