1,4,4a,7,8,8a-hexahydronaphthalen-1-amine

C10H15N — CID 67951587

IUPAC1,4,4a,7,8,8a-hexahydronaphthalen-1-amine
SMILESNC1C=CCC2C=CCCC12
InChIInChI=1S/C10H15N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1,3-4,7-10H,2,5-6,11H2
InChIKeyXJXCEWDSVKUQEB-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.86
Rot. Bonds

About 1,4,4a,7,8,8a-hexahydronaphthalen-1-amine

1,4,4a,7,8,8a-hexahydronaphthalen-1-amine (PubChem CID 67951587) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1,4,4a,7,8,8a-hexahydronaphthalen-1-amine.

Molecular Properties

Compound Name1,4,4a,7,8,8a-hexahydronaphthalen-1-amine
PubChem CID67951587
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1,4,4a,7,8,8a-hexahydronaphthalen-1-amine
SMILESNC1C=CCC2C=CCCC12
InChIInChI=1S/C10H15N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1,3-4,7-10H,2,5-6,11H2
InChIKeyXJXCEWDSVKUQEB-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,4,4a,7,8,8a-hexahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,4a,7,8,8a-hexahydronaphthalen-1-amine?
The IUPAC name of 1,4,4a,7,8,8a-hexahydronaphthalen-1-amine (CID 67951587) is 1,4,4a,7,8,8a-hexahydronaphthalen-1-amine.
What is the SMILES notation for 1,4,4a,7,8,8a-hexahydronaphthalen-1-amine?
The canonical SMILES for 1,4,4a,7,8,8a-hexahydronaphthalen-1-amine is NC1C=CCC2C=CCCC12.
What is the InChIKey of 1,4,4a,7,8,8a-hexahydronaphthalen-1-amine?
The InChIKey is XJXCEWDSVKUQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1,3-4,7-10H,2,5-6,11H2.
What are the key properties of 1,4,4a,7,8,8a-hexahydronaphthalen-1-amine?
1,4,4a,7,8,8a-hexahydronaphthalen-1-amine has a molecular weight of 149.24 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4a,7,8,8a-hexahydronaphthalen-1-amine is sourced from PubChem (CID 67951587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).