6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol

C12H21NO — CID 156526489

IUPAC6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
SMILESCC1C(N)CC=C2CC(O)CCC21C
InChIInChI=1S/C12H21NO/c1-8-11(13)4-3-9-7-10(14)5-6-12(8,9)2/h3,8,10-11,14H,4-7,13H2,1-2H3
InChIKeyRLJJABOCJUIEOV-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.83
Rot. Bonds

About 6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol

6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol (PubChem CID 156526489) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
PubChem CID156526489
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
SMILESCC1C(N)CC=C2CC(O)CCC21C
InChIInChI=1S/C12H21NO/c1-8-11(13)4-3-9-7-10(14)5-6-12(8,9)2/h3,8,10-11,14H,4-7,13H2,1-2H3
InChIKeyRLJJABOCJUIEOV-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of 6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol (CID 156526489) is 6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol is CC1C(N)CC=C2CC(O)CCC21C.
What is the InChIKey of 6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol?
The InChIKey is RLJJABOCJUIEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8-11(13)4-3-9-7-10(14)5-6-12(8,9)2/h3,8,10-11,14H,4-7,13H2,1-2H3.
What are the key properties of 6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol?
6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol has a molecular weight of 195.31 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 156526489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).