(3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine

C9H14N2 — CID 91336852

IUPAC(3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine
SMILES[H]/N=C(/C=C(C)/C(C)=N/[H])C(=C)C
InChIInChI=1S/C9H14N2/c1-6(2)9(11)5-7(3)8(4)10/h5,10-11H,1H2,2-4H3/b7-5+,10-8+,11-9-
InChIKeyQIDIMAZLELDSJD-XKAPECRISA-N
MW150.22 g/mol
LogP2.57
Rot. Bonds3

About (3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine

(3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine (PubChem CID 91336852) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine.

Molecular Properties

Compound Name(3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine
PubChem CID91336852
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine
SMILES[H]/N=C(/C=C(C)/C(C)=N/[H])C(=C)C
InChIInChI=1S/C9H14N2/c1-6(2)9(11)5-7(3)8(4)10/h5,10-11H,1H2,2-4H3/b7-5+,10-8+,11-9-
InChIKeyQIDIMAZLELDSJD-XKAPECRISA-N
XLogP2.57
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.57
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

2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
Toluquinone diimine
CID 57641797
3-Methyl-2-cyclopentenimine
CID 91232431
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
5-Fluoro-6-methylhepta-4,6-dien-2-imine
CID 123502589
(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123634361
(3Z,5E)-5-fluoro-3-methylhepta-3,5-dien-2-imine
CID 134217364
(Z)-4-imino-2-methylpent-2-enimidoyl fluoride
CID 138494928
(E)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine
CID 139435452
(3E,5E)-3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 144000603
(6E)-6-ethylidene-5-fluoro-3-methylcyclohexa-2,4-dien-1-imine
CID 144524442
(Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine
CID 145206456

Frequently Asked Questions

What is the IUPAC name of (3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine?
The IUPAC name of (3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine (CID 91336852) is (3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine.
What is the SMILES notation for (3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine?
The canonical SMILES for (3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine is [H]/N=C(/C=C(C)/C(C)=N/[H])C(=C)C.
What is the InChIKey of (3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine?
The InChIKey is QIDIMAZLELDSJD-XKAPECRISA-N. The full InChI is InChI=1S/C9H14N2/c1-6(2)9(11)5-7(3)8(4)10/h5,10-11H,1H2,2-4H3/b7-5+,10-8+,11-9-.
What are the key properties of (3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine?
(3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine has a molecular weight of 150.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine is sourced from PubChem (CID 91336852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).