N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

C14H25F3N2 — CID 114490704

IUPACN-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCCC(CNC(C)(C)C)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-5-12(10-18-13(2,3)4)19-8-6-11(7-9-19)14(15,16)17/h6,12,18H,5,7-10H2,1-4H3
InChIKeyFQYBLGOHKHCHHT-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.35
Rot. Bonds4

About N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (PubChem CID 114490704) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
PubChem CID114490704
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCCC(CNC(C)(C)C)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-5-12(10-18-13(2,3)4)19-8-6-11(7-9-19)14(15,16)17/h6,12,18H,5,7-10H2,1-4H3
InChIKeyFQYBLGOHKHCHHT-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.35
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-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The IUPAC name of N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (CID 114490704) is N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is CCC(CNC(C)(C)C)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The InChIKey is FQYBLGOHKHCHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-5-12(10-18-13(2,3)4)19-8-6-11(7-9-19)14(15,16)17/h6,12,18H,5,7-10H2,1-4H3.
What are the key properties of N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is sourced from PubChem (CID 114490704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).