2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine

C14H22F3N3 — CID 102708312

IUPAC2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
SMILESCCC(CC)(C(N)c1cnccc1C(F)(F)F)N(C)C
InChIInChI=1S/C14H22F3N3/c1-5-13(6-2,20(3)4)12(18)10-9-19-8-7-11(10)14(15,16)17/h7-9,12H,5-6,18H2,1-4H3
InChIKeyIKPGXZXAHONJFQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.22
Rot. Bonds5

About 2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine

2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine (PubChem CID 102708312) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
PubChem CID102708312
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
SMILESCCC(CC)(C(N)c1cnccc1C(F)(F)F)N(C)C
InChIInChI=1S/C14H22F3N3/c1-5-13(6-2,20(3)4)12(18)10-9-19-8-7-11(10)14(15,16)17/h7-9,12H,5-6,18H2,1-4H3
InChIKeyIKPGXZXAHONJFQ-UHFFFAOYSA-N
XLogP3.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
CID 102708310
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708459
3-[2-(dimethylamino)-2-ethyl-1-hydrazinylbutyl]pyridin-4-amine
CID 105241711
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline
CID 102709954
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
(3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708268
(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709870
[2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine
CID 102710430
N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708571
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine (CID 102708312) is 2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine is CCC(CC)(C(N)c1cnccc1C(F)(F)F)N(C)C.
What is the InChIKey of 2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine?
The InChIKey is IKPGXZXAHONJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-5-13(6-2,20(3)4)12(18)10-9-19-8-7-11(10)14(15,16)17/h7-9,12H,5-6,18H2,1-4H3.
What are the key properties of 2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine?
2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine has a molecular weight of 289.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine is sourced from PubChem (CID 102708312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).