ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine

C14H24F3N3 — CID 144993722

IUPACethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESC=C(C)N(C)c1cnc(C(F)(F)F)cc1N.CC.CC
InChIInChI=1S/C10H12F3N3.2C2H6/c1-6(2)16(3)8-5-15-9(4-7(8)14)10(11,12)13;2*1-2/h4-5H,1H2,2-3H3,(H2,14,15);2*1-2H3
InChIKeyRBLGZAHUXMPUNT-UHFFFAOYSA-N
MW291.36 g/mol
LogP4.70
Rot. Bonds2

About ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine

ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 144993722) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Nameethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID144993722
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC Nameethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESC=C(C)N(C)c1cnc(C(F)(F)F)cc1N.CC.CC
InChIInChI=1S/C10H12F3N3.2C2H6/c1-6(2)16(3)8-5-15-9(4-7(8)14)10(11,12)13;2*1-2/h4-5H,1H2,2-3H3,(H2,14,15);2*1-2H3
InChIKeyRBLGZAHUXMPUNT-UHFFFAOYSA-N
XLogP4.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl N-[4-amino-6-(trifluoromethyl)-3-pyridinyl]-N-methylcarbamate
CID 175744667
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine
CID 106747334
4-N-(cyclohexylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747423
1-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141985
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747535
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590
4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol
CID 106748001
4-N-(2,4-dimethylphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747622
2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol
CID 106747408
4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747912
[4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid
CID 126664814
4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747617

Frequently Asked Questions

What is the IUPAC name of ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 144993722) is ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine is C=C(C)N(C)c1cnc(C(F)(F)F)cc1N.CC.CC.
What is the InChIKey of ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is RBLGZAHUXMPUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3.2C2H6/c1-6(2)16(3)8-5-15-9(4-7(8)14)10(11,12)13;2*1-2/h4-5H,1H2,2-3H3,(H2,14,15);2*1-2H3.
What are the key properties of ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine?
ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 144993722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).