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

C11H15NO — CID 135190354

IUPACN-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
SMILESCON=C1CCCC2C=CC=CC12
InChIInChI=1S/C11H15NO/c1-13-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyHUBNBORNLDVXJM-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.53
Rot. Bonds1

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

N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine (PubChem CID 135190354) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine.

Molecular Properties

Compound NameN-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
PubChem CID135190354
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
SMILESCON=C1CCCC2C=CC=CC12
InChIInChI=1S/C11H15NO/c1-13-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyHUBNBORNLDVXJM-UHFFFAOYSA-N
XLogP2.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine?
The IUPAC name of N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine (CID 135190354) is N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine.
What is the SMILES notation for N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine?
The canonical SMILES for N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine is CON=C1CCCC2C=CC=CC12.
What is the InChIKey of N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine?
The InChIKey is HUBNBORNLDVXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,9-10H,4,6,8H2,1H3.
What are the key properties of N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine?
N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine has a molecular weight of 177.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine is sourced from PubChem (CID 135190354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).