4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine

C11H18N2 — CID 54186477

IUPAC4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine
SMILESNC1=CC=NC2CCCCCCC12
InChIInChI=1S/C11H18N2/c12-10-7-8-13-11-6-4-2-1-3-5-9(10)11/h7-9,11H,1-6,12H2
InChIKeyPFLIFHMYUFKCMU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.25
Rot. Bonds

About 4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine

4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine (PubChem CID 54186477) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine.

Molecular Properties

Compound Name4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine
PubChem CID54186477
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine
SMILESNC1=CC=NC2CCCCCCC12
InChIInChI=1S/C11H18N2/c12-10-7-8-13-11-6-4-2-1-3-5-9(10)11/h7-9,11H,1-6,12H2
InChIKeyPFLIFHMYUFKCMU-UHFFFAOYSA-N
XLogP2.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine?
The IUPAC name of 4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine (CID 54186477) is 4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine.
What is the SMILES notation for 4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine?
The canonical SMILES for 4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine is NC1=CC=NC2CCCCCCC12.
What is the InChIKey of 4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine?
The InChIKey is PFLIFHMYUFKCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-10-7-8-13-11-6-4-2-1-3-5-9(10)11/h7-9,11H,1-6,12H2.
What are the key properties of 4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine?
4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine has a molecular weight of 178.28 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridin-4-amine is sourced from PubChem (CID 54186477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).