1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine

C14H22F3N3 — CID 114908428

IUPAC1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
SMILESCC(CNC(C)(C)C)NCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H22F3N3/c1-10(7-20-13(2,3)4)18-9-12-6-5-11(8-19-12)14(15,16)17/h5-6,8,10,18,20H,7,9H2,1-4H3
InChIKeyWZSXSUFLXCAGIV-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.97
Rot. Bonds5

About 1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine

1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine (PubChem CID 114908428) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
PubChem CID114908428
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
SMILESCC(CNC(C)(C)C)NCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H22F3N3/c1-10(7-20-13(2,3)4)18-9-12-6-5-11(8-19-12)14(15,16)17/h5-6,8,10,18,20H,7,9H2,1-4H3
InChIKeyWZSXSUFLXCAGIV-UHFFFAOYSA-N
XLogP2.97
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908431
(1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750275
(1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750268
N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine
CID 114908451
1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832
1-(6-isocyano-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750318
6-[1-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethyl]pyridine-2-carbonitrile
CID 156830619
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608
3-methyl-3-(propan-2-ylamino)-1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 58374265
N-tert-butyl-N'-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62591788
N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide
CID 171823264

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine (CID 114908428) is 1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine is CC(CNC(C)(C)C)NCc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine?
The InChIKey is WZSXSUFLXCAGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-10(7-20-13(2,3)4)18-9-12-6-5-11(8-19-12)14(15,16)17/h5-6,8,10,18,20H,7,9H2,1-4H3.
What are the key properties of 1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine?
1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine has a molecular weight of 289.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 114908428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).