N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine

C19H25F3N4 — CID 91819607

IUPACN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25)
InChIKeyHEAUHZMVJKXAQR-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.43
Rot. Bonds7

About N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine

N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 91819607) has the molecular formula C19H25F3N4 and a molecular weight of 366.43 g/mol. Its IUPAC name is N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID91819607
Molecular FormulaC19H25F3N4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC NameN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25)
InChIKeyHEAUHZMVJKXAQR-UHFFFAOYSA-N
XLogP3.43
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine (CID 91819607) is N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(C(F)(F)F)c1.
What is the InChIKey of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is HEAUHZMVJKXAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25).
What are the key properties of N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine?
N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 366.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 91819607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).