2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C14H24N2 — CID 4866680

IUPAC2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESC1=CC(C2CCC3CCCCC3N2)NCC1
InChIInChI=1S/C14H24N2/c1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13/h3,7,11-16H,1-2,4-6,8-10H2
InChIKeyFTRAPLVXFIBPTP-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.22
Rot. Bonds1

About 2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 4866680) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID4866680
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESC1=CC(C2CCC3CCCCC3N2)NCC1
InChIInChI=1S/C14H24N2/c1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13/h3,7,11-16H,1-2,4-6,8-10H2
InChIKeyFTRAPLVXFIBPTP-UHFFFAOYSA-N
XLogP2.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 4866680) is 2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is C1=CC(C2CCC3CCCCC3N2)NCC1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is FTRAPLVXFIBPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13/h3,7,11-16H,1-2,4-6,8-10H2.
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 220.36 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-6-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 4866680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).