3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine

C8H17N3 — CID 143881358

IUPAC3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine
SMILESNN1CCCC2CNCCC21
InChIInChI=1S/C8H17N3/c9-11-5-1-2-7-6-10-4-3-8(7)11/h7-8,10H,1-6,9H2
InChIKeyCRECMHRCRQFYCX-UHFFFAOYSA-N
MW155.24 g/mol
LogP-0.07
Rot. Bonds

About 3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine

3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine (PubChem CID 143881358) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine
PubChem CID143881358
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine
SMILESNN1CCCC2CNCCC21
InChIInChI=1S/C8H17N3/c9-11-5-1-2-7-6-10-4-3-8(7)11/h7-8,10H,1-6,9H2
InChIKeyCRECMHRCRQFYCX-UHFFFAOYSA-N
XLogP-0.07
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine (CID 143881358) is 3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine is NN1CCCC2CNCCC21.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine?
The InChIKey is CRECMHRCRQFYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c9-11-5-1-2-7-6-10-4-3-8(7)11/h7-8,10H,1-6,9H2.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine?
3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine has a molecular weight of 155.24 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridin-1-amine is sourced from PubChem (CID 143881358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).