(2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine

C13H20N2 — CID 166983874

IUPAC(2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine
SMILESC=C/N=C(\C=C/C)C(=C\C=N\C)/C(C)C
InChIInChI=1S/C13H20N2/c1-6-8-13(15-7-2)12(11(3)4)9-10-14-5/h6-11H,2H2,1,3-5H3/b8-6-,12-9-,14-10+,15-13+
InChIKeyBYOASVNTJXWKRT-FSSGZIADSA-N
MW204.32 g/mol
LogP3.43
Rot. Bonds5

About (2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine

(2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine (PubChem CID 166983874) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name(2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine
PubChem CID166983874
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine
SMILESC=C/N=C(\C=C/C)C(=C\C=N\C)/C(C)C
InChIInChI=1S/C13H20N2/c1-6-8-13(15-7-2)12(11(3)4)9-10-14-5/h6-11H,2H2,1,3-5H3/b8-6-,12-9-,14-10+,15-13+
InChIKeyBYOASVNTJXWKRT-FSSGZIADSA-N
XLogP3.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.43
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 (2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine?
The IUPAC name of (2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine (CID 166983874) is (2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine.
What is the SMILES notation for (2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine?
The canonical SMILES for (2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine is C=C/N=C(\C=C/C)C(=C\C=N\C)/C(C)C.
What is the InChIKey of (2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine?
The InChIKey is BYOASVNTJXWKRT-FSSGZIADSA-N. The full InChI is InChI=1S/C13H20N2/c1-6-8-13(15-7-2)12(11(3)4)9-10-14-5/h6-11H,2H2,1,3-5H3/b8-6-,12-9-,14-10+,15-13+.
What are the key properties of (2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine?
(2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine has a molecular weight of 204.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine is sourced from PubChem (CID 166983874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).