2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine

C10H17N3 — CID 143997800

IUPAC2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine
SMILESNCCC1=NC2=C(CCCN2)CC1
InChIInChI=1S/C10H17N3/c11-6-5-9-4-3-8-2-1-7-12-10(8)13-9/h12H,1-7,11H2
InChIKeyVIJGPBGJTPPSQA-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.16
Rot. Bonds2

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

2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine (PubChem CID 143997800) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine
PubChem CID143997800
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine
SMILESNCCC1=NC2=C(CCCN2)CC1
InChIInChI=1S/C10H17N3/c11-6-5-9-4-3-8-2-1-7-12-10(8)13-9/h12H,1-7,11H2
InChIKeyVIJGPBGJTPPSQA-UHFFFAOYSA-N
XLogP1.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine?
The IUPAC name of 2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine (CID 143997800) is 2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine?
The canonical SMILES for 2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine is NCCC1=NC2=C(CCCN2)CC1.
What is the InChIKey of 2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine?
The InChIKey is VIJGPBGJTPPSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-6-5-9-4-3-8-2-1-7-12-10(8)13-9/h12H,1-7,11H2.
What are the key properties of 2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine?
2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)ethanamine is sourced from PubChem (CID 143997800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).