2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine

C11H16F3N3O — CID 114280858

IUPAC2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine
SMILESCCCC(CN)Nc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3O/c1-2-3-8(6-15)17-10-5-4-9(7-16-10)18-11(12,13)14/h4-5,7-8H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyCTTFZPPNWGZJOC-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.52
Rot. Bonds6

About 2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine

2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine (PubChem CID 114280858) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine
PubChem CID114280858
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine
SMILESCCCC(CN)Nc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3O/c1-2-3-8(6-15)17-10-5-4-9(7-16-10)18-11(12,13)14/h4-5,7-8H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyCTTFZPPNWGZJOC-UHFFFAOYSA-N
XLogP2.52
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(5-bromo-2-pyridinyl)pentane-1,2-diamine
CID 65192789
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058
N-(1-methoxypropan-2-yl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133488159
5-methoxy-N-octan-4-ylpyridin-2-amine
CID 114138454
N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 114280854
2-N-(6-chloropyridazin-3-yl)pentane-1,2-diamine
CID 65192529
N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133492021
methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate
CID 65192484
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
N-hexan-2-yl-5-methoxypyridin-2-amine
CID 103932159
N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133487556
N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 169237349

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine?
The IUPAC name of 2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine (CID 114280858) is 2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine.
What is the SMILES notation for 2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine?
The canonical SMILES for 2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine is CCCC(CN)Nc1ccc(OC(F)(F)F)cn1.
What is the InChIKey of 2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine?
The InChIKey is CTTFZPPNWGZJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-3-8(6-15)17-10-5-4-9(7-16-10)18-11(12,13)14/h4-5,7-8H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine?
2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine has a molecular weight of 263.26 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(trifluoromethoxy)-2-pyridinyl]pentane-1,2-diamine is sourced from PubChem (CID 114280858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).