3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine

C10H14F3N3 — CID 79954083

IUPAC3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C(N)CCC(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-6-3-5-16-9(15)8(6)7(14)2-4-10(11,12)13/h3,5,7H,2,4,14H2,1H3,(H2,15,16)
InChIKeyDTKYERSKBPVWFO-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.31
Rot. Bonds3

About 3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine

3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine (PubChem CID 79954083) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine
PubChem CID79954083
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C(N)CCC(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-6-3-5-16-9(15)8(6)7(14)2-4-10(11,12)13/h3,5,7H,2,4,14H2,1H3,(H2,15,16)
InChIKeyDTKYERSKBPVWFO-UHFFFAOYSA-N
XLogP2.31
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine
CID 65132768
3-(1-amino-2-ethylsulfanylethyl)-4-methylpyridin-2-amine
CID 65128071
3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine
CID 105265616
3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103474599
1-(2-amino-4-methyl-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053689
3-(1-amino-2-methoxy-2-methylpropyl)-4-methylpyridin-2-amine
CID 79197414
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethylphenol;hydrochloride
CID 171198715
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104
3-[2-(4-fluorophenyl)-1-hydrazinyl-2-methylpropyl]-4-methylpyridin-2-amine
CID 105223679
3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 114886010
4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
CID 82788520
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine (CID 79954083) is 3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine is Cc1ccnc(N)c1C(N)CCC(F)(F)F.
What is the InChIKey of 3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine?
The InChIKey is DTKYERSKBPVWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6-3-5-16-9(15)8(6)7(14)2-4-10(11,12)13/h3,5,7H,2,4,14H2,1H3,(H2,15,16).
What are the key properties of 3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine?
3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine has a molecular weight of 233.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-4,4,4-trifluorobutyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 79954083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).