6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

C12H21NO — CID 135799852

IUPAC6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILES[H]/N=C/C1CCC2CC(O)CCC2(C)C1
InChIInChI=1S/C12H21NO/c1-12-5-4-11(14)6-10(12)3-2-9(7-12)8-13/h8-11,13-14H,2-7H2,1H3/b13-8+
InChIKeyOYIABZMFFDSFAR-MDWZMJQESA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds1

About 6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (PubChem CID 135799852) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
PubChem CID135799852
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILES[H]/N=C/C1CCC2CC(O)CCC2(C)C1
InChIInChI=1S/C12H21NO/c1-12-5-4-11(14)6-10(12)3-2-9(7-12)8-13/h8-11,13-14H,2-7H2,1H3/b13-8+
InChIKeyOYIABZMFFDSFAR-MDWZMJQESA-N
XLogP2.60
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The IUPAC name of 6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (CID 135799852) is 6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is [H]/N=C/C1CCC2CC(O)CCC2(C)C1.
What is the InChIKey of 6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The InChIKey is OYIABZMFFDSFAR-MDWZMJQESA-N. The full InChI is InChI=1S/C12H21NO/c1-12-5-4-11(14)6-10(12)3-2-9(7-12)8-13/h8-11,13-14H,2-7H2,1H3/b13-8+.
What are the key properties of 6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol has a molecular weight of 195.31 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoyl-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 135799852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).