2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine

C12H22N2 — CID 123257514

IUPAC2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine
SMILESC/N=C(\C)C(C)=C/C(=N\C)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-9(10(2)13-6)8-11(14-7)12(3,4)5/h8H,1-7H3/b9-8?,13-10+,14-11+
InChIKeyVRYHZIMMWVCQNM-MVVYLWCPSA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds2

About 2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine

2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine (PubChem CID 123257514) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine.

Molecular Properties

Compound Name2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine
PubChem CID123257514
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine
SMILESC/N=C(\C)C(C)=C/C(=N\C)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-9(10(2)13-6)8-11(14-7)12(3,4)5/h8H,1-7H3/b9-8?,13-10+,14-11+
InChIKeyVRYHZIMMWVCQNM-MVVYLWCPSA-N
XLogP3.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine?
The IUPAC name of 2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine (CID 123257514) is 2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine.
What is the SMILES notation for 2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine?
The canonical SMILES for 2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine is C/N=C(\C)C(C)=C/C(=N\C)C(C)(C)C.
What is the InChIKey of 2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine?
The InChIKey is VRYHZIMMWVCQNM-MVVYLWCPSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(10(2)13-6)8-11(14-7)12(3,4)5/h8H,1-7H3/b9-8?,13-10+,14-11+.
What are the key properties of 2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine?
2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine has a molecular weight of 194.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine is sourced from PubChem (CID 123257514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).