1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine

C10H18N2 — CID 123612288

IUPAC1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine
SMILESCC=C/C(=N\C)C(C)(C)/C=N/C
InChIInChI=1S/C10H18N2/c1-6-7-9(12-5)10(2,3)8-11-4/h6-8H,1-5H3/b7-6?,11-8+,12-9+
InChIKeyXWGLODIITLNCEM-NPCGNDIMSA-N
MW166.27 g/mol
LogP2.36
Rot. Bonds3

About 1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine

1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine (PubChem CID 123612288) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine.

Molecular Properties

Compound Name1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine
PubChem CID123612288
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine
SMILESCC=C/C(=N\C)C(C)(C)/C=N/C
InChIInChI=1S/C10H18N2/c1-6-7-9(12-5)10(2,3)8-11-4/h6-8H,1-5H3/b7-6?,11-8+,12-9+
InChIKeyXWGLODIITLNCEM-NPCGNDIMSA-N
XLogP2.36
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine?
The IUPAC name of 1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine (CID 123612288) is 1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine.
What is the SMILES notation for 1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine?
The canonical SMILES for 1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine is CC=C/C(=N\C)C(C)(C)/C=N/C.
What is the InChIKey of 1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine?
The InChIKey is XWGLODIITLNCEM-NPCGNDIMSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-7-9(12-5)10(2,3)8-11-4/h6-8H,1-5H3/b7-6?,11-8+,12-9+.
What are the key properties of 1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine?
1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine has a molecular weight of 166.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2,2-tetramethylhex-4-ene-1,3-diimine is sourced from PubChem (CID 123612288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).