5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C14H20F3N3 — CID 80634944

IUPAC5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCc1cc(CC(C)N)cnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H20F3N3/c1-9-5-11(6-10(2)18)7-19-13(9)20(12-3-4-12)8-14(15,16)17/h5,7,10,12H,3-4,6,8,18H2,1-2H3
InChIKeyBFAXPIOTXFANRE-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.81
Rot. Bonds5

About 5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 80634944) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID80634944
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCc1cc(CC(C)N)cnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H20F3N3/c1-9-5-11(6-10(2)18)7-19-13(9)20(12-3-4-12)8-14(15,16)17/h5,7,10,12H,3-4,6,8,18H2,1-2H3
InChIKeyBFAXPIOTXFANRE-UHFFFAOYSA-N
XLogP2.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80630541
N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80630706
N-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637515
5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine
CID 80634568
5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine
CID 80633664
5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633578
5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80633736
5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 80629436
5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine
CID 80635092
5-(2-aminopropyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
CID 80634444
5-(2-aminopropyl)-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 80630712
1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80634466

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 80634944) is 5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is Cc1cc(CC(C)N)cnc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is BFAXPIOTXFANRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-9-5-11(6-10(2)18)7-19-13(9)20(12-3-4-12)8-14(15,16)17/h5,7,10,12H,3-4,6,8,18H2,1-2H3.
What are the key properties of 5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 80634944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).