N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C10H15F3N4 — CID 66328118

IUPACN'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESNCCN(CCN)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)8-1-4-16-9(7-8)17(5-2-14)6-3-15/h1,4,7H,2-3,5-6,14-15H2
InChIKeyLTRUCZXVTDLVBU-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.82
Rot. Bonds5

About N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 66328118) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID66328118
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC NameN'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESNCCN(CCN)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)8-1-4-16-9(7-8)17(5-2-14)6-3-15/h1,4,7H,2-3,5-6,14-15H2
InChIKeyLTRUCZXVTDLVBU-UHFFFAOYSA-N
XLogP0.82
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 66328118) is N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is NCCN(CCN)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is LTRUCZXVTDLVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)8-1-4-16-9(7-8)17(5-2-14)6-3-15/h1,4,7H,2-3,5-6,14-15H2.
What are the key properties of N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 248.25 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 66328118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).