1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine

C13H20F3N3 — CID 61479974

IUPAC1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H20F3N3/c1-9(2)11(8-19(3)4)18-12-6-5-10(7-17-12)13(14,15)16/h5-7,9,11H,8H2,1-4H3,(H,17,18)
InChIKeyDXMGDRDCOFQNQA-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.10
Rot. Bonds5

About 1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine (PubChem CID 61479974) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine
PubChem CID61479974
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H20F3N3/c1-9(2)11(8-19(3)4)18-12-6-5-10(7-17-12)13(14,15)16/h5-7,9,11H,8H2,1-4H3,(H,17,18)
InChIKeyDXMGDRDCOFQNQA-UHFFFAOYSA-N
XLogP3.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine (CID 61479974) is 1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine is CC(C)C(CN(C)C)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine?
The InChIKey is DXMGDRDCOFQNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-9(2)11(8-19(3)4)18-12-6-5-10(7-17-12)13(14,15)16/h5-7,9,11H,8H2,1-4H3,(H,17,18).
What are the key properties of 1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine has a molecular weight of 275.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine is sourced from PubChem (CID 61479974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).