4,4a,5,8a-tetrahydronaphthalene-1,8-diimine

C10H12N2 — CID 123300527

IUPAC4,4a,5,8a-tetrahydronaphthalene-1,8-diimine
SMILES[H]/N=C1\C=CCC2CC=C/C(=N\[H])C12
InChIInChI=1S/C10H12N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-2,5-7,10-12H,3-4H2/b11-8+,12-9+
InChIKeyIPHGVEBUUGQHKZ-HZOWPXDZSA-N
MW160.22 g/mol
LogP2.18
Rot. Bonds

About 4,4a,5,8a-tetrahydronaphthalene-1,8-diimine

4,4a,5,8a-tetrahydronaphthalene-1,8-diimine (PubChem CID 123300527) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4,4a,5,8a-tetrahydronaphthalene-1,8-diimine.

Molecular Properties

Compound Name4,4a,5,8a-tetrahydronaphthalene-1,8-diimine
PubChem CID123300527
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4,4a,5,8a-tetrahydronaphthalene-1,8-diimine
SMILES[H]/N=C1\C=CCC2CC=C/C(=N\[H])C12
InChIInChI=1S/C10H12N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-2,5-7,10-12H,3-4H2/b11-8+,12-9+
InChIKeyIPHGVEBUUGQHKZ-HZOWPXDZSA-N
XLogP2.18
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine
CID 57011589
3-(5-Iminocyclohex-3-en-1-yl)prop-2-enenitrile
CID 57276247
2-Butan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69931975
2-(2-Methylpropyl)cyclohexa-2,5-diene-1,4-diimine
CID 69932960
6-Methylcyclohex-2-en-1-imine
CID 86188349
5-Methylcyclohex-2-en-1-imine
CID 86188350
1-Cyclohex-3-en-1-ylethanimine
CID 88885301
2,8a-Dihydronaphthalene-1,8-diimine
CID 89401691
4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine
CID 90688400
4,5,6-Trimethylcyclohex-2-en-1-imine
CID 90968842
4a,9a-Dihydrobenzo[7]annulen-5-imine
CID 91161416
1-Cyclohex-3-en-1-ylpropan-1-imine
CID 91368930

Frequently Asked Questions

What is the IUPAC name of 4,4a,5,8a-tetrahydronaphthalene-1,8-diimine?
The IUPAC name of 4,4a,5,8a-tetrahydronaphthalene-1,8-diimine (CID 123300527) is 4,4a,5,8a-tetrahydronaphthalene-1,8-diimine.
What is the SMILES notation for 4,4a,5,8a-tetrahydronaphthalene-1,8-diimine?
The canonical SMILES for 4,4a,5,8a-tetrahydronaphthalene-1,8-diimine is [H]/N=C1\C=CCC2CC=C/C(=N\[H])C12.
What is the InChIKey of 4,4a,5,8a-tetrahydronaphthalene-1,8-diimine?
The InChIKey is IPHGVEBUUGQHKZ-HZOWPXDZSA-N. The full InChI is InChI=1S/C10H12N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-2,5-7,10-12H,3-4H2/b11-8+,12-9+.
What are the key properties of 4,4a,5,8a-tetrahydronaphthalene-1,8-diimine?
4,4a,5,8a-tetrahydronaphthalene-1,8-diimine has a molecular weight of 160.22 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,5,8a-tetrahydronaphthalene-1,8-diimine is sourced from PubChem (CID 123300527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).