6,7,8,8a-tetrahydro-5H-naphthalen-1-imine

C10H13N — CID 22022783

IUPAC6,7,8,8a-tetrahydro-5H-naphthalen-1-imine
SMILES[H]/N=C1\C=CC=C2CCCCC21
InChIInChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,9,11H,1-2,4,6H2/b11-10+
InChIKeyQZUDWZWLURXLNR-ZHACJKMWSA-N
MW147.22 g/mol
LogP2.69
Rot. Bonds

About 6,7,8,8a-tetrahydro-5H-naphthalen-1-imine

6,7,8,8a-tetrahydro-5H-naphthalen-1-imine (PubChem CID 22022783) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 6,7,8,8a-tetrahydro-5H-naphthalen-1-imine.

Molecular Properties

Compound Name6,7,8,8a-tetrahydro-5H-naphthalen-1-imine
PubChem CID22022783
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name6,7,8,8a-tetrahydro-5H-naphthalen-1-imine
SMILES[H]/N=C1\C=CC=C2CCCCC21
InChIInChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,9,11H,1-2,4,6H2/b11-10+
InChIKeyQZUDWZWLURXLNR-ZHACJKMWSA-N
XLogP2.69
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6,7,8,8a-tetrahydro-5H-naphthalen-1-imine?
The IUPAC name of 6,7,8,8a-tetrahydro-5H-naphthalen-1-imine (CID 22022783) is 6,7,8,8a-tetrahydro-5H-naphthalen-1-imine.
What is the SMILES notation for 6,7,8,8a-tetrahydro-5H-naphthalen-1-imine?
The canonical SMILES for 6,7,8,8a-tetrahydro-5H-naphthalen-1-imine is [H]/N=C1\C=CC=C2CCCCC21.
What is the InChIKey of 6,7,8,8a-tetrahydro-5H-naphthalen-1-imine?
The InChIKey is QZUDWZWLURXLNR-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,9,11H,1-2,4,6H2/b11-10+.
What are the key properties of 6,7,8,8a-tetrahydro-5H-naphthalen-1-imine?
6,7,8,8a-tetrahydro-5H-naphthalen-1-imine has a molecular weight of 147.22 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,8a-tetrahydro-5H-naphthalen-1-imine is sourced from PubChem (CID 22022783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).