6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine

C10H13F4N3 — CID 114169581

IUPAC6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine
SMILESNc1ccc(CCNCC(F)(F)C(F)F)nc1
InChIInChI=1S/C10H13F4N3/c11-9(12)10(13,14)6-16-4-3-8-2-1-7(15)5-17-8/h1-2,5,9,16H,3-4,6,15H2
InChIKeyJJDJBLQVYUHVFY-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.70
Rot. Bonds6

About 6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine

6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine (PubChem CID 114169581) has the molecular formula C10H13F4N3 and a molecular weight of 251.23 g/mol. Its IUPAC name is 6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine
PubChem CID114169581
Molecular FormulaC10H13F4N3
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine
SMILESNc1ccc(CCNCC(F)(F)C(F)F)nc1
InChIInChI=1S/C10H13F4N3/c11-9(12)10(13,14)6-16-4-3-8-2-1-7(15)5-17-8/h1-2,5,9,16H,3-4,6,15H2
InChIKeyJJDJBLQVYUHVFY-UHFFFAOYSA-N
XLogP1.70
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(propan-2-ylamino)ethyl]pyridin-3-amine
CID 107340080
6-(3-methylbutyl)pyridin-3-amine
CID 82414791
2,2,3,3-tetrafluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 106291949
6-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-3-amine
CID 107340164
6-[2-[2,2-difluoroethyl(methyl)amino]ethyl]pyridin-3-amine
CID 107340363
3-chloro-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
CID 106289897
6-[2-[bis(2-methylpropyl)amino]ethyl]pyridin-3-amine
CID 107340097
6-[2-(diethylamino)ethyl]pyridin-3-amine
CID 107339929
2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine
CID 106290130
3-(5-amino-2-pyridinyl)propylcarbamic acid
CID 150650176
6-(ethylaminomethyl)pyridin-3-amine
CID 79003622
2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 106292101

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine?
The IUPAC name of 6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine (CID 114169581) is 6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine?
The canonical SMILES for 6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine is Nc1ccc(CCNCC(F)(F)C(F)F)nc1.
What is the InChIKey of 6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine?
The InChIKey is JJDJBLQVYUHVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3/c11-9(12)10(13,14)6-16-4-3-8-2-1-7(15)5-17-8/h1-2,5,9,16H,3-4,6,15H2.
What are the key properties of 6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine?
6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine has a molecular weight of 251.23 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2,3,3-tetrafluoropropylamino)ethyl]pyridin-3-amine is sourced from PubChem (CID 114169581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).