6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine

C12H17NO — CID 89020347

IUPAC6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
SMILESC/N=C1\CCCC2C=C(OC)C=CC12
InChIInChI=1S/C12H17NO/c1-13-12-5-3-4-9-8-10(14-2)6-7-11(9)12/h6-9,11H,3-5H2,1-2H3/b13-12+
InChIKeyWZEWCQWBEGFQGW-OUKQBFOZSA-N
MW191.27 g/mol
LogP2.57
Rot. Bonds1

About 6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine

6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine (PubChem CID 89020347) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
PubChem CID89020347
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
SMILESC/N=C1\CCCC2C=C(OC)C=CC12
InChIInChI=1S/C12H17NO/c1-13-12-5-3-4-9-8-10(14-2)6-7-11(9)12/h6-9,11H,3-5H2,1-2H3/b13-12+
InChIKeyWZEWCQWBEGFQGW-OUKQBFOZSA-N
XLogP2.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
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-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine?
The IUPAC name of 6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine (CID 89020347) is 6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine.
What is the SMILES notation for 6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine?
The canonical SMILES for 6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine is C/N=C1\CCCC2C=C(OC)C=CC12.
What is the InChIKey of 6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine?
The InChIKey is WZEWCQWBEGFQGW-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-12-5-3-4-9-8-10(14-2)6-7-11(9)12/h6-9,11H,3-5H2,1-2H3/b13-12+.
What are the key properties of 6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine?
6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine has a molecular weight of 191.27 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine is sourced from PubChem (CID 89020347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).