4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine

C12H14N2 — CID 57011589

IUPAC4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine
SMILES[H]/N=C1\C=CC(=C)C2C(=C)CC/C(=N\[H])C12
InChIInChI=1S/C12H14N2/c1-7-3-5-9(13)12-10(14)6-4-8(2)11(7)12/h3,5,11-14H,1-2,4,6H2/b13-9+,14-10+
InChIKeyRUPFDQOTTSCLDM-UTLPMFLDSA-N
MW186.26 g/mol
LogP2.73
Rot. Bonds

About 4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine

4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine (PubChem CID 57011589) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine.

Molecular Properties

Compound Name4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine
PubChem CID57011589
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine
SMILES[H]/N=C1\C=CC(=C)C2C(=C)CC/C(=N\[H])C12
InChIInChI=1S/C12H14N2/c1-7-3-5-9(13)12-10(14)6-4-8(2)11(7)12/h3,5,11-14H,1-2,4,6H2/b13-9+,14-10+
InChIKeyRUPFDQOTTSCLDM-UTLPMFLDSA-N
XLogP2.73
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-Iminocyclohexyl)cyclohexa-2,4-dien-1-imine
CID 134859228
6,7,8,8a-tetrahydro-5H-naphthalen-1-imine
CID 22022783
(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
CID 23051203
3,4,4a,8a-tetrahydro-2H-naphthalen-1-ylidenehydrazine
CID 56607855
3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 70461624
(6Z)-2-ethyl-6-[(Z)-2-ethylbut-2-enylidene]cyclohexan-1-imine
CID 87690054
2,8a-Dihydronaphthalene-1,8-diimine
CID 89401691
4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine
CID 90688400
6-Ethyl-5-methyl-3-methylidene-4,6,7,8-tetrahydronaphthalen-2-imine
CID 117807389
4,4a,5,8a-Tetrahydronaphthalene-1,8-diimine
CID 123300527
4-Prop-1-enyl-3-prop-1-en-2-ylcyclohex-2-en-1-imine
CID 123311076
(5Z)-2,9,10,10a-tetrahydro-1H-benzo[8]annulen-3-imine
CID 123336517

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine?
The IUPAC name of 4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine (CID 57011589) is 4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine.
What is the SMILES notation for 4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine?
The canonical SMILES for 4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine is [H]/N=C1\C=CC(=C)C2C(=C)CC/C(=N\[H])C12.
What is the InChIKey of 4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine?
The InChIKey is RUPFDQOTTSCLDM-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H14N2/c1-7-3-5-9(13)12-10(14)6-4-8(2)11(7)12/h3,5,11-14H,1-2,4,6H2/b13-9+,14-10+.
What are the key properties of 4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine?
4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine has a molecular weight of 186.26 g/mol, XLogP of 2.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine is sourced from PubChem (CID 57011589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).