1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C12H16F3N3 — CID 116653195

IUPAC1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCN(c1cccc(C(F)(F)F)n1)C(CN)C1CC1
InChIInChI=1S/C12H16F3N3/c1-18(9(7-16)8-5-6-8)11-4-2-3-10(17-11)12(13,14)15/h2-4,8-9H,5-7,16H2,1H3
InChIKeyQDBHCYGVAFWKEP-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.27
Rot. Bonds4

About 1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 116653195) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID116653195
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCN(c1cccc(C(F)(F)F)n1)C(CN)C1CC1
InChIInChI=1S/C12H16F3N3/c1-18(9(7-16)8-5-6-8)11-4-2-3-10(17-11)12(13,14)15/h2-4,8-9H,5-7,16H2,1H3
InChIKeyQDBHCYGVAFWKEP-UHFFFAOYSA-N
XLogP2.27
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-methyl-N-pyridazin-3-ylethane-1,2-diamine
CID 116653423
1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 116653234
1-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 62333913
1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine
CID 114789555
1-cyclopropyl-N-(6-methoxypyrazin-2-yl)-N-methylethane-1,2-diamine
CID 116653172
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653233
N-(2,1-benzothiazol-3-yl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653177
4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979137
1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 116653334
2-[cyclopropyl-[6-(trifluoromethyl)-2-pyridinyl]amino]cyclobutan-1-ol
CID 126856604
1-cyclopropyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
CID 116653264
6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine
CID 63588402

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 116653195) is 1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is CN(c1cccc(C(F)(F)F)n1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is QDBHCYGVAFWKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-18(9(7-16)8-5-6-8)11-4-2-3-10(17-11)12(13,14)15/h2-4,8-9H,5-7,16H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 259.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 116653195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).