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

C12H21F3N2 — CID 114490249

IUPACN-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
SMILESCCNC(C)(C)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-4-16-11(2,3)9-17-7-5-10(6-8-17)12(13,14)15/h5,16H,4,6-9H2,1-3H3
InChIKeyLULAYDUFWWCYDO-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.57
Rot. Bonds4

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

N-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine (PubChem CID 114490249) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
PubChem CID114490249
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
SMILESCCNC(C)(C)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-4-16-11(2,3)9-17-7-5-10(6-8-17)12(13,14)15/h5,16H,4,6-9H2,1-3H3
InChIKeyLULAYDUFWWCYDO-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The IUPAC name of N-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine (CID 114490249) is N-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The canonical SMILES for N-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine is CCNC(C)(C)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The InChIKey is LULAYDUFWWCYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-4-16-11(2,3)9-17-7-5-10(6-8-17)12(13,14)15/h5,16H,4,6-9H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
N-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine has a molecular weight of 250.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine is sourced from PubChem (CID 114490249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).