2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol

C13H18F3N3O — CID 102718792

IUPAC2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESCNc1cc(C(F)(F)F)cc(NCC2CCCC2O)n1
InChIInChI=1S/C13H18F3N3O/c1-17-11-5-9(13(14,15)16)6-12(19-11)18-7-8-3-2-4-10(8)20/h5-6,8,10,20H,2-4,7H2,1H3,(H2,17,18,19)
InChIKeyHJRHTPDMFGQTEN-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.71
Rot. Bonds4

About 2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol

2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol (PubChem CID 102718792) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
PubChem CID102718792
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESCNc1cc(C(F)(F)F)cc(NCC2CCCC2O)n1
InChIInChI=1S/C13H18F3N3O/c1-17-11-5-9(13(14,15)16)6-12(19-11)18-7-8-3-2-4-10(8)20/h5-6,8,10,20H,2-4,7H2,1H3,(H2,17,18,19)
InChIKeyHJRHTPDMFGQTEN-UHFFFAOYSA-N
XLogP2.71
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 102718808
[2-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106772357
2-N-methyl-6-N-(thiolan-2-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718955
2-N-methyl-6-N-(thian-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719318
6-N-(2-cyclopentylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717681
[2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol
CID 102716000
2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106775780
2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol
CID 102718306
[1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol
CID 102719028
2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
CID 102719042
6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717416
2-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 66326314

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol (CID 102718792) is 2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol is CNc1cc(C(F)(F)F)cc(NCC2CCCC2O)n1.
What is the InChIKey of 2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is HJRHTPDMFGQTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-17-11-5-9(13(14,15)16)6-12(19-11)18-7-8-3-2-4-10(8)20/h5-6,8,10,20H,2-4,7H2,1H3,(H2,17,18,19).
What are the key properties of 2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 289.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 102718792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).