4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

C14H21F3N4 — CID 106747884

IUPAC4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCCN1CCCC1CN(C)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C14H21F3N4/c1-3-21-6-4-5-10(21)9-20(2)12-7-13(14(15,16)17)19-8-11(12)18/h7-8,10H,3-6,9,18H2,1-2H3
InChIKeyZNXAAPMXYHBMKK-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.60
Rot. Bonds4

About 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747884) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747884
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCCN1CCCC1CN(C)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C14H21F3N4/c1-3-21-6-4-5-10(21)9-20(2)12-7-13(14(15,16)17)19-8-11(12)18/h7-8,10H,3-6,9,18H2,1-2H3
InChIKeyZNXAAPMXYHBMKK-UHFFFAOYSA-N
XLogP2.60
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide
CID 79309783
6-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 115425756
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-4-amine
CID 104778534
4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 114926731
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82992382
1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 79318550
4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747912
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylaniline
CID 79318756
2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79304544
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 79319283

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747884) is 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is CCN1CCCC1CN(C)c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is ZNXAAPMXYHBMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-3-21-6-4-5-10(21)9-20(2)12-7-13(14(15,16)17)19-8-11(12)18/h7-8,10H,3-6,9,18H2,1-2H3.
What are the key properties of 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 302.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).