N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine

C11H15N — CID 123157288

IUPACN-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine
SMILESC=CC=CC(C=CN=C)=C(C)C
InChIInChI=1S/C11H15N/c1-5-6-7-11(10(2)3)8-9-12-4/h5-9H,1,4H2,2-3H3
InChIKeyPBAQGPJUIZIUOG-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.28
Rot. Bonds4

About N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine

N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine (PubChem CID 123157288) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine.

Molecular Properties

Compound NameN-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine
PubChem CID123157288
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine
SMILESC=CC=CC(C=CN=C)=C(C)C
InChIInChI=1S/C11H15N/c1-5-6-7-11(10(2)3)8-9-12-4/h5-9H,1,4H2,2-3H3
InChIKeyPBAQGPJUIZIUOG-UHFFFAOYSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine?
The IUPAC name of N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine (CID 123157288) is N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine.
What is the SMILES notation for N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine?
The canonical SMILES for N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine is C=CC=CC(C=CN=C)=C(C)C.
What is the InChIKey of N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine?
The InChIKey is PBAQGPJUIZIUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-5-6-7-11(10(2)3)8-9-12-4/h5-9H,1,4H2,2-3H3.
What are the key properties of N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine?
N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine has a molecular weight of 161.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine is sourced from PubChem (CID 123157288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).