N-[(4Z)-hexa-1,4-dien-2-yl]methanimine

C7H11N — CID 88897198

IUPACN-[(4Z)-hexa-1,4-dien-2-yl]methanimine
SMILESC=NC(=C)C/C=C\C
InChIInChI=1S/C7H11N/c1-4-5-6-7(2)8-3/h4-5H,2-3,6H2,1H3/b5-4-
InChIKeyZUGZQUDJAZARAG-PLNGDYQASA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds3

About N-[(4Z)-hexa-1,4-dien-2-yl]methanimine

N-[(4Z)-hexa-1,4-dien-2-yl]methanimine (PubChem CID 88897198) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-[(4Z)-hexa-1,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(4Z)-hexa-1,4-dien-2-yl]methanimine
PubChem CID88897198
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-[(4Z)-hexa-1,4-dien-2-yl]methanimine
SMILESC=NC(=C)C/C=C\C
InChIInChI=1S/C7H11N/c1-4-5-6-7(2)8-3/h4-5H,2-3,6H2,1H3/b5-4-
InChIKeyZUGZQUDJAZARAG-PLNGDYQASA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-hexa-1,4-dien-2-yl]methanimine?
The IUPAC name of N-[(4Z)-hexa-1,4-dien-2-yl]methanimine (CID 88897198) is N-[(4Z)-hexa-1,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(4Z)-hexa-1,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(4Z)-hexa-1,4-dien-2-yl]methanimine is C=NC(=C)C/C=C\C.
What is the InChIKey of N-[(4Z)-hexa-1,4-dien-2-yl]methanimine?
The InChIKey is ZUGZQUDJAZARAG-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11N/c1-4-5-6-7(2)8-3/h4-5H,2-3,6H2,1H3/b5-4-.
What are the key properties of N-[(4Z)-hexa-1,4-dien-2-yl]methanimine?
N-[(4Z)-hexa-1,4-dien-2-yl]methanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-hexa-1,4-dien-2-yl]methanimine is sourced from PubChem (CID 88897198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).