4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine

C9H15N3 — CID 143502394

IUPAC4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine
SMILESNCC1=NC2NCCCC2C=C1
InChIInChI=1S/C9H15N3/c10-6-8-4-3-7-2-1-5-11-9(7)12-8/h3-4,7,9,11H,1-2,5-6,10H2
InChIKeyPGSIIQSJCJIWHK-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.28
Rot. Bonds1

About 4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine

4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine (PubChem CID 143502394) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine.

Molecular Properties

Compound Name4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine
PubChem CID143502394
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine
SMILESNCC1=NC2NCCCC2C=C1
InChIInChI=1S/C9H15N3/c10-6-8-4-3-7-2-1-5-11-9(7)12-8/h3-4,7,9,11H,1-2,5-6,10H2
InChIKeyPGSIIQSJCJIWHK-UHFFFAOYSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4a,5,6,7,8,8a-Hexahydro-1,8-naphthyridin-2-yl)-2,2-difluoropropan-1-amine
CID 131997945
[1-(4a,5,6,7,8,8a-Hexahydro-1,8-naphthyridin-2-yl)-2-fluorobutan-2-yl]phosphane
CID 169921481
2,3,4,4a-Tetrahydroquinazoline
CID 20531185
2,3,4,4a,5,6-Hexahydroquinazoline
CID 53696514
2,3,4,4a,5,8-Hexahydroquinazoline
CID 57219414
N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine
CID 67518556
7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine
CID 67562135
2,4a,5,6,7,8-Hexahydro-1,6-naphthyridine
CID 90707339
2,3,4,4a,7,8-Hexahydroquinazoline
CID 90943850
2,3,4,4a,5,9a-hexahydro-1H-pyrido[2,3-b]azepine
CID 91196503
2,4a,5,6,7,8-Hexahydro-1,7-naphthyridine
CID 91486096
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344

Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine?
The IUPAC name of 4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine (CID 143502394) is 4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine.
What is the SMILES notation for 4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine?
The canonical SMILES for 4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine is NCC1=NC2NCCCC2C=C1.
What is the InChIKey of 4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine?
The InChIKey is PGSIIQSJCJIWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-6-8-4-3-7-2-1-5-11-9(7)12-8/h3-4,7,9,11H,1-2,5-6,10H2.
What are the key properties of 4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine?
4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine has a molecular weight of 165.24 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-ylmethanamine is sourced from PubChem (CID 143502394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).