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

C15H27F3N2 — CID 114490644

IUPACN-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
SMILESCCCC(CNCC(C)C)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-4-5-14(11-19-10-12(2)3)20-8-6-13(7-9-20)15(16,17)18/h6,12,14,19H,4-5,7-11H2,1-3H3
InChIKeyBPEUAHAINGFQOI-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.60
Rot. Bonds7

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

N-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine (PubChem CID 114490644) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
PubChem CID114490644
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
SMILESCCCC(CNCC(C)C)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-4-5-14(11-19-10-12(2)3)20-8-6-13(7-9-20)15(16,17)18/h6,12,14,19H,4-5,7-11H2,1-3H3
InChIKeyBPEUAHAINGFQOI-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.60
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
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
(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
(1S,2S)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429440
(1S,2S)-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134438056
(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,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134459118
2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 140862768
2-N-methyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 144081422
(E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine
CID 145011962

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine (CID 114490644) is N-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine is CCCC(CNCC(C)C)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
The InChIKey is BPEUAHAINGFQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-4-5-14(11-19-10-12(2)3)20-8-6-13(7-9-20)15(16,17)18/h6,12,14,19H,4-5,7-11H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
N-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine is sourced from PubChem (CID 114490644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).