N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

C11H14F3N3 — CID 78990195

IUPACN-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCC2CCNC2)n1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)9-2-1-3-10(17-9)16-7-8-4-5-15-6-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyVJBSQKKMXQBLQW-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.12
Rot. Bonds3

About N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 78990195) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID78990195
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC NameN-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCC2CCNC2)n1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)9-2-1-3-10(17-9)16-7-8-4-5-15-6-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyVJBSQKKMXQBLQW-UHFFFAOYSA-N
XLogP2.12
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 94417648
N-[(3-aminocyclohexyl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 106128015
N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86277771
2-(pyrrolidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62371769
1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 123995011
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 133399659
5-[[4-(pyrrolidin-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 150547999
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
6-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 96586619
2-(piperidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62348885
N-(4-propylcyclohexyl)-6-(trifluoromethyl)pyridin-2-amine
CID 63541353
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (CID 78990195) is N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccc(NCC2CCNC2)n1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VJBSQKKMXQBLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)9-2-1-3-10(17-9)16-7-8-4-5-15-6-8/h1-3,8,15H,4-7H2,(H,16,17).
What are the key properties of N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 245.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 78990195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).