6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol

C12H17F3N2O — CID 103918216

IUPAC6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
SMILESOCCCCCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)10-6-5-8-17-11(10)16-7-3-1-2-4-9-18/h5-6,8,18H,1-4,7,9H2,(H,16,17)
InChIKeyYCWHWUAKRMNZKX-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.07
Rot. Bonds7

About 6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol

6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol (PubChem CID 103918216) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
PubChem CID103918216
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
SMILESOCCCCCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)10-6-5-8-17-11(10)16-7-3-1-2-4-9-18/h5-6,8,18H,1-4,7,9H2,(H,16,17)
InChIKeyYCWHWUAKRMNZKX-UHFFFAOYSA-N
XLogP3.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
N-cyclopropyl-N'-[3-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 43599663
N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115579994
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 66177550
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 115628581
N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43443470

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol?
The IUPAC name of 6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol (CID 103918216) is 6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol?
The canonical SMILES for 6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol is OCCCCCCNc1ncccc1C(F)(F)F.
What is the InChIKey of 6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol?
The InChIKey is YCWHWUAKRMNZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)10-6-5-8-17-11(10)16-7-3-1-2-4-9-18/h5-6,8,18H,1-4,7,9H2,(H,16,17).
What are the key properties of 6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol?
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol is sourced from PubChem (CID 103918216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).