4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine

C12H20N2 — CID 57201163

IUPAC4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine
SMILESC=CC/C(CC/C(CC=C)=N/C)=N\C
InChIInChI=1S/C12H20N2/c1-5-7-11(13-3)9-10-12(14-4)8-6-2/h5-6H,1-2,7-10H2,3-4H3/b13-11+,14-12+
InChIKeyBJSSJKBVLDYRRF-PHEQNACWSA-N
MW192.31 g/mol
LogP3.06
Rot. Bonds7

About 4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine

4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine (PubChem CID 57201163) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine.

Molecular Properties

Compound Name4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine
PubChem CID57201163
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine
SMILESC=CC/C(CC/C(CC=C)=N/C)=N\C
InChIInChI=1S/C12H20N2/c1-5-7-11(13-3)9-10-12(14-4)8-6-2/h5-6H,1-2,7-10H2,3-4H3/b13-11+,14-12+
InChIKeyBJSSJKBVLDYRRF-PHEQNACWSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine?
The IUPAC name of 4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine (CID 57201163) is 4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine.
What is the SMILES notation for 4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine?
The canonical SMILES for 4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine is C=CC/C(CC/C(CC=C)=N/C)=N\C.
What is the InChIKey of 4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine?
The InChIKey is BJSSJKBVLDYRRF-PHEQNACWSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-11(13-3)9-10-12(14-4)8-6-2/h5-6H,1-2,7-10H2,3-4H3/b13-11+,14-12+.
What are the key properties of 4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine?
4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine has a molecular weight of 192.31 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine is sourced from PubChem (CID 57201163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).