N-hepta-1,2,5-trienylmethanimine

C8H11N — CID 123189592

IUPACN-hepta-1,2,5-trienylmethanimine
SMILESC=NC=C=CCC=CC
InChIInChI=1S/C8H11N/c1-3-4-5-6-7-8-9-2/h3-4,6,8H,2,5H2,1H3
InChIKeyVJDJOWXVNYCNHE-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.32
Rot. Bonds3

About N-hepta-1,2,5-trienylmethanimine

N-hepta-1,2,5-trienylmethanimine (PubChem CID 123189592) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-hepta-1,2,5-trienylmethanimine.

Molecular Properties

Compound NameN-hepta-1,2,5-trienylmethanimine
PubChem CID123189592
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-hepta-1,2,5-trienylmethanimine
SMILESC=NC=C=CCC=CC
InChIInChI=1S/C8H11N/c1-3-4-5-6-7-8-9-2/h3-4,6,8H,2,5H2,1H3
InChIKeyVJDJOWXVNYCNHE-UHFFFAOYSA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,3E)-2-fluorohexa-1,3-dienyl]methanimine
CID 165151838
N-[(1Z,3E)-3-ethenylhexa-1,3-dienyl]methanimine
CID 88863922
N-[(1Z,3E)-hexa-1,3-dienyl]methanimine
CID 88963303
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
N-[(Z)-2-methylpent-3-enyl]methanimine
CID 89189425
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 89219458
N-[(1Z,4E)-3-methylidenehexa-1,4-dienyl]methanimine
CID 89276769
(E)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine
CID 89351795
N-[(5Z)-hepta-1,2,5-trienyl]ethanimine
CID 89361686
N-[(1Z,3E)-4-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]methanimine
CID 89502554
N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine
CID 90155529
N-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]methanimine
CID 90160249

Frequently Asked Questions

What is the IUPAC name of N-hepta-1,2,5-trienylmethanimine?
The IUPAC name of N-hepta-1,2,5-trienylmethanimine (CID 123189592) is N-hepta-1,2,5-trienylmethanimine.
What is the SMILES notation for N-hepta-1,2,5-trienylmethanimine?
The canonical SMILES for N-hepta-1,2,5-trienylmethanimine is C=NC=C=CCC=CC.
What is the InChIKey of N-hepta-1,2,5-trienylmethanimine?
The InChIKey is VJDJOWXVNYCNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-4-5-6-7-8-9-2/h3-4,6,8H,2,5H2,1H3.
What are the key properties of N-hepta-1,2,5-trienylmethanimine?
N-hepta-1,2,5-trienylmethanimine has a molecular weight of 121.18 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hepta-1,2,5-trienylmethanimine is sourced from PubChem (CID 123189592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).