N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine

C15H27F3N2 — CID 114490623

IUPACN-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
SMILESCC(C)CNCCCCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-13(2)12-19-8-4-3-5-9-20-10-6-14(7-11-20)15(16,17)18/h6,13,19H,3-5,7-12H2,1-2H3
InChIKeyJTLXWWXGHQNAHU-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.60
Rot. Bonds8

About N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine

N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine (PubChem CID 114490623) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
PubChem CID114490623
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
SMILESCC(C)CNCCCCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-13(2)12-19-8-4-3-5-9-20-10-6-14(7-11-20)15(16,17)18/h6,13,19H,3-5,7-12H2,1-2H3
InChIKeyJTLXWWXGHQNAHU-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 114413207
2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114490708
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62424621
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 55070080
(2S)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 130523166
5-(4,4-dimethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62930484
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
CID 174276401
N-ethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114413349
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 55069879
5,5-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine
CID 114490216

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine (CID 114490623) is N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine is CC(C)CNCCCCCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
The InChIKey is JTLXWWXGHQNAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-13(2)12-19-8-4-3-5-9-20-10-6-14(7-11-20)15(16,17)18/h6,13,19H,3-5,7-12H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
N-(2-methylpropyl)-5-[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, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine is sourced from PubChem (CID 114490623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).