N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine

C11H19N — CID 67951482

IUPACN-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine
SMILESCNC1C=CC2CCCCC2C1
InChIInChI=1S/C11H19N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h6-7,9-12H,2-5,8H2,1H3
InChIKeyAGHHMDQTKBXDDC-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.34
Rot. Bonds1

About N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine

N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine (PubChem CID 67951482) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine
PubChem CID67951482
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine
SMILESCNC1C=CC2CCCCC2C1
InChIInChI=1S/C11H19N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h6-7,9-12H,2-5,8H2,1H3
InChIKeyAGHHMDQTKBXDDC-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.34
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 N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine?
The IUPAC name of N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine (CID 67951482) is N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine.
What is the SMILES notation for N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine?
The canonical SMILES for N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine is CNC1C=CC2CCCCC2C1.
What is the InChIKey of N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine?
The InChIKey is AGHHMDQTKBXDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h6-7,9-12H,2-5,8H2,1H3.
What are the key properties of N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine?
N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-amine is sourced from PubChem (CID 67951482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).