6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C13H19F3N4 — CID 102718410

IUPAC6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(NCCCN2CCCC2)n1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)10-8-11(17)19-12(9-10)18-4-3-7-20-5-1-2-6-20/h8-9H,1-7H2,(H3,17,18,19)
InChIKeyRVXCCEFLFXWDRJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.58
Rot. Bonds5

About 6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718410) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718410
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(NCCCN2CCCC2)n1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)10-8-11(17)19-12(9-10)18-4-3-7-20-5-1-2-6-20/h8-9H,1-7H2,(H3,17,18,19)
InChIKeyRVXCCEFLFXWDRJ-UHFFFAOYSA-N
XLogP2.58
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719029
2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718349
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778
6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80646711
3-N-(4-pyrrolidin-1-ylbutyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818192
6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718436
4-[3,5-bis(trifluoromethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 134261352
1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 102718737
6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717902
6-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 80914696
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717234

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718410) is 6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine is Nc1cc(C(F)(F)F)cc(NCCCN2CCCC2)n1.
What is the InChIKey of 6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is RVXCCEFLFXWDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)10-8-11(17)19-12(9-10)18-4-3-7-20-5-1-2-6-20/h8-9H,1-7H2,(H3,17,18,19).
What are the key properties of 6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 288.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).