1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine

C10H17N — CID 67951578

IUPAC1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine
SMILESNC1CCC=C2CCCCC21
InChIInChI=1S/C10H17N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h5,9-10H,1-4,6-7,11H2
InChIKeyQTHZCUICQOOODR-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.22
Rot. Bonds

About 1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine

1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine (PubChem CID 67951578) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine.

Molecular Properties

Compound Name1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine
PubChem CID67951578
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine
SMILESNC1CCC=C2CCCCC21
InChIInChI=1S/C10H17N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h5,9-10H,1-4,6-7,11H2
InChIKeyQTHZCUICQOOODR-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine?
The IUPAC name of 1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine (CID 67951578) is 1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine.
What is the SMILES notation for 1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine?
The canonical SMILES for 1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine is NC1CCC=C2CCCCC21.
What is the InChIKey of 1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine?
The InChIKey is QTHZCUICQOOODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h5,9-10H,1-4,6-7,11H2.
What are the key properties of 1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine?
1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,8,8a-octahydronaphthalen-1-amine is sourced from PubChem (CID 67951578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).