3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine

C11H17F2N3 — CID 131997945

IUPAC3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine
SMILESNCC(F)(F)CC1=NC2NCCCC2C=C1
InChIInChI=1S/C11H17F2N3/c12-11(13,7-14)6-9-4-3-8-2-1-5-15-10(8)16-9/h3-4,8,10,15H,1-2,5-7,14H2
InChIKeyICUTUAFVDCXTFO-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.31
Rot. Bonds3

About 3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine

3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine (PubChem CID 131997945) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine
PubChem CID131997945
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine
SMILESNCC(F)(F)CC1=NC2NCCCC2C=C1
InChIInChI=1S/C11H17F2N3/c12-11(13,7-14)6-9-4-3-8-2-1-5-15-10(8)16-9/h3-4,8,10,15H,1-2,5-7,14H2
InChIKeyICUTUAFVDCXTFO-UHFFFAOYSA-N
XLogP1.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine?
The IUPAC name of 3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine (CID 131997945) is 3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine is NCC(F)(F)CC1=NC2NCCCC2C=C1.
What is the InChIKey of 3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine?
The InChIKey is ICUTUAFVDCXTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c12-11(13,7-14)6-9-4-3-8-2-1-5-15-10(8)16-9/h3-4,8,10,15H,1-2,5-7,14H2.
What are the key properties of 3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine?
3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 131997945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).