2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine

C15H24F3N3 — CID 102708310

IUPAC2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(N)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H24F3N3/c1-5-14(4,21(6-2)7-3)13(19)11-10-20-9-8-12(11)15(16,17)18/h8-10,13H,5-7,19H2,1-4H3
InChIKeyFUBHCCGWPCPBOP-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.61
Rot. Bonds6

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

2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine (PubChem CID 102708310) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
PubChem CID102708310
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
SMILESCCN(CC)C(C)(CC)C(N)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H24F3N3/c1-5-14(4,21(6-2)7-3)13(19)11-10-20-9-8-12(11)15(16,17)18/h8-10,13H,5-7,19H2,1-4H3
InChIKeyFUBHCCGWPCPBOP-UHFFFAOYSA-N
XLogP3.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
CID 102708312
2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine
CID 79068432
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069136
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708459
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
[2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710327
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline
CID 102709954
3-cyclopentyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709687
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
2-(diethylamino)-2-methyl-1-pyridin-3-ylbutan-1-ol
CID 79064377

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine (CID 102708310) is 2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine is CCN(CC)C(C)(CC)C(N)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine?
The InChIKey is FUBHCCGWPCPBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-5-14(4,21(6-2)7-3)13(19)11-10-20-9-8-12(11)15(16,17)18/h8-10,13H,5-7,19H2,1-4H3.
What are the key properties of 2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine?
2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine has a molecular weight of 303.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine is sourced from PubChem (CID 102708310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).