2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine

C9H12F3N3 — CID 104740080

IUPAC2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine
SMILESNc1cccnc1CNCCC(F)(F)F
InChIInChI=1S/C9H12F3N3/c10-9(11,12)3-5-14-6-8-7(13)2-1-4-15-8/h1-2,4,14H,3,5-6,13H2
InChIKeyFISKTUUFEANESA-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.71
Rot. Bonds4

About 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine

2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine (PubChem CID 104740080) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine
PubChem CID104740080
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine
SMILESNc1cccnc1CNCCC(F)(F)F
InChIInChI=1S/C9H12F3N3/c10-9(11,12)3-5-14-6-8-7(13)2-1-4-15-8/h1-2,4,14H,3,5-6,13H2
InChIKeyFISKTUUFEANESA-UHFFFAOYSA-N
XLogP1.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 5918
CID 5918
CID 2366
CID 2366
CID 75919
CID 75919
CID 10009
CID 10009
CID 19509
CID 19509
CID 68643
CID 68643
CID 10176607
CID 10176607
CID 759327
CID 759327
CID 73759
CID 73759
CID 1549499
CID 1549499
CID 10654891
CID 10654891
CID 80554
CID 80554

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine?
The IUPAC name of 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine (CID 104740080) is 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine.
What is the SMILES notation for 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine?
The canonical SMILES for 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine is Nc1cccnc1CNCCC(F)(F)F.
What is the InChIKey of 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine?
The InChIKey is FISKTUUFEANESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)3-5-14-6-8-7(13)2-1-4-15-8/h1-2,4,14H,3,5-6,13H2.
What are the key properties of 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine?
2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine has a molecular weight of 219.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 104740080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).