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

C15H27F3N2 — CID 114490200

IUPAC3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
SMILESCC(C)C(CCN)CCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-12(2)13(5-8-19)4-3-9-20-10-6-14(7-11-20)15(16,17)18/h6,12-13H,3-5,7-11,19H2,1-2H3
InChIKeyZLWPXUILJDMEKI-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.58
Rot. Bonds7

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

3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine (PubChem CID 114490200) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
PubChem CID114490200
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
SMILESCC(C)C(CCN)CCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-12(2)13(5-8-19)4-3-9-20-10-6-14(7-11-20)15(16,17)18/h6,12-13H,3-5,7-11,19H2,1-2H3
InChIKeyZLWPXUILJDMEKI-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 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 ≤ 53.58
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

(2S)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 130523166
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490242
5,5-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine
CID 114490216
N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 114490623
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine
CID 114460413
6-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 114489843
N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine
CID 114490100
2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114490136
4-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]aniline
CID 114489526
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
CID 114489683
2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114490708
[4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
CID 114489692

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine?
The IUPAC name of 3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine (CID 114490200) is 3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine.
What is the SMILES notation for 3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine?
The canonical SMILES for 3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine is CC(C)C(CCN)CCCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine?
The InChIKey is ZLWPXUILJDMEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-12(2)13(5-8-19)4-3-9-20-10-6-14(7-11-20)15(16,17)18/h6,12-13H,3-5,7-11,19H2,1-2H3.
What are the key properties of 3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine?
3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine is sourced from PubChem (CID 114490200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).