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

C11H17F2N3 — CID 162567489

IUPAC2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine
SMILESNCC(F)(F)CC1=NC2=C(CCCN2)CC1
InChIInChI=1S/C11H17F2N3/c12-11(13,7-14)6-9-4-3-8-2-1-5-15-10(8)16-9/h15H,1-7,14H2
InChIKeyXBNSSXOWNGTHJV-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.80
Rot. Bonds3

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

2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine (PubChem CID 162567489) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine
PubChem CID162567489
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine
SMILESNCC(F)(F)CC1=NC2=C(CCCN2)CC1
InChIInChI=1S/C11H17F2N3/c12-11(13,7-14)6-9-4-3-8-2-1-5-15-10(8)16-9/h15H,1-7,14H2
InChIKeyXBNSSXOWNGTHJV-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine (CID 162567489) is 2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine is NCC(F)(F)CC1=NC2=C(CCCN2)CC1.
What is the InChIKey of 2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine?
The InChIKey is XBNSSXOWNGTHJV-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/h15H,1-7,14H2.
What are the key properties of 2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine?
2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)propan-1-amine is sourced from PubChem (CID 162567489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).