ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine

C20H30F3N3 — CID 153329889

IUPACethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC.CC(C)c1cc(C(F)(F)F)ccn1.CNc1ccnc(C(C)C)c1
InChIInChI=1S/C9H10F3N.C9H14N2.C2H6/c1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)9-6-8(10-3)4-5-11-9;1-2/h3-6H,1-2H3;4-7H,1-3H3,(H,10,11);1-2H3
InChIKeyKAUVSKRKEIYPAU-UHFFFAOYSA-N
MW369.48 g/mol
LogP6.50
Rot. Bonds3

About ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine

ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 153329889) has the molecular formula C20H30F3N3 and a molecular weight of 369.48 g/mol. Its IUPAC name is ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID153329889
Molecular FormulaC20H30F3N3
Molecular Weight369.48 g/mol
Exact Mass369.24
IUPAC Nameethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC.CC(C)c1cc(C(F)(F)F)ccn1.CNc1ccnc(C(C)C)c1
InChIInChI=1S/C9H10F3N.C9H14N2.C2H6/c1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)9-6-8(10-3)4-5-11-9;1-2/h3-6H,1-2H3;4-7H,1-3H3,(H,10,11);1-2H3
InChIKeyKAUVSKRKEIYPAU-UHFFFAOYSA-N
XLogP6.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.48
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine (CID 153329889) is ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine is CC.CC(C)c1cc(C(F)(F)F)ccn1.CNc1ccnc(C(C)C)c1.
What is the InChIKey of ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is KAUVSKRKEIYPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N.C9H14N2.C2H6/c1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)9-6-8(10-3)4-5-11-9;1-2/h3-6H,1-2H3;4-7H,1-3H3,(H,10,11);1-2H3.
What are the key properties of ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine?
ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 369.48 g/mol, XLogP of 6.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 153329889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).