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

C10H17N3 — CID 86231913

IUPAC2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine
SMILESNCCC1=NC2NCCCC2C=C1
InChIInChI=1S/C10H17N3/c11-6-5-9-4-3-8-2-1-7-12-10(8)13-9/h3-4,8,10,12H,1-2,5-7,11H2
InChIKeyRESVSKMODVJFTJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.67
Rot. Bonds2

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

2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine (PubChem CID 86231913) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine
PubChem CID86231913
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine
SMILESNCCC1=NC2NCCCC2C=C1
InChIInChI=1S/C10H17N3/c11-6-5-9-4-3-8-2-1-7-12-10(8)13-9/h3-4,8,10,12H,1-2,5-7,11H2
InChIKeyRESVSKMODVJFTJ-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
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
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
2,3,4,4a,5,8-Hexahydroquinazoline
CID 57219414
4-Tert-butyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridine
CID 58270274
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
2,4a,5,6,7,8-Hexahydro-1,7-naphthyridine
CID 91486096

Frequently Asked Questions

What is the IUPAC name of 2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine?
The IUPAC name of 2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine (CID 86231913) is 2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine.
What is the SMILES notation for 2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine?
The canonical SMILES for 2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine is NCCC1=NC2NCCCC2C=C1.
What is the InChIKey of 2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine?
The InChIKey is RESVSKMODVJFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-6-5-9-4-3-8-2-1-7-12-10(8)13-9/h3-4,8,10,12H,1-2,5-7,11H2.
What are the key properties of 2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine?
2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine has a molecular weight of 179.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine is sourced from PubChem (CID 86231913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).