hepta-1,6-dien-4-imine

C7H11N — CID 88661458

IUPAChepta-1,6-dien-4-imine
SMILES[H]N=C(CC=C)CC=C
InChIInChI=1S/C7H11N/c1-3-5-7(8)6-4-2/h3-4,8H,1-2,5-6H2
InChIKeyPFHHHANHYPFVKB-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.16
Rot. Bonds4

About hepta-1,6-dien-4-imine

hepta-1,6-dien-4-imine (PubChem CID 88661458) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is hepta-1,6-dien-4-imine.

Molecular Properties

Compound Namehepta-1,6-dien-4-imine
PubChem CID88661458
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Namehepta-1,6-dien-4-imine
SMILES[H]N=C(CC=C)CC=C
InChIInChI=1S/C7H11N/c1-3-5-7(8)6-4-2/h3-4,8H,1-2,5-6H2
InChIKeyPFHHHANHYPFVKB-UHFFFAOYSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of hepta-1,6-dien-4-imine?
The IUPAC name of hepta-1,6-dien-4-imine (CID 88661458) is hepta-1,6-dien-4-imine.
What is the SMILES notation for hepta-1,6-dien-4-imine?
The canonical SMILES for hepta-1,6-dien-4-imine is [H]N=C(CC=C)CC=C.
What is the InChIKey of hepta-1,6-dien-4-imine?
The InChIKey is PFHHHANHYPFVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-5-7(8)6-4-2/h3-4,8H,1-2,5-6H2.
What are the key properties of hepta-1,6-dien-4-imine?
hepta-1,6-dien-4-imine has a molecular weight of 109.17 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-1,6-dien-4-imine is sourced from PubChem (CID 88661458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).