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

C11H19F3N2 — CID 114489671

IUPAC5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
SMILESNCCCCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)10-4-8-16(9-5-10)7-3-1-2-6-15/h4H,1-3,5-9,15H2
InChIKeyLSSAJPDOPWKENU-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.31
Rot. Bonds5

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

5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine (PubChem CID 114489671) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
PubChem CID114489671
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
SMILESNCCCCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)10-4-8-16(9-5-10)7-3-1-2-6-15/h4H,1-3,5-9,15H2
InChIKeyLSSAJPDOPWKENU-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine (CID 114489671) is 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine is NCCCCCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
The InChIKey is LSSAJPDOPWKENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)10-4-8-16(9-5-10)7-3-1-2-6-15/h4H,1-3,5-9,15H2.
What are the key properties of 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine?
5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine is sourced from PubChem (CID 114489671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).