nona-2,4,6,8-tetraen-1-imine

C9H11N — CID 71330773

IUPACnona-2,4,6,8-tetraen-1-imine
SMILES[H]/N=C/C=CC=CC=CC=C
InChIInChI=1S/C9H11N/c1-2-3-4-5-6-7-8-9-10/h2-10H,1H2/b4-3?,6-5?,8-7?,10-9+
InChIKeyOTRVPDDFTFENMX-UCDYUXIVSA-N
MW133.19 g/mol
LogP2.49
Rot. Bonds4

About nona-2,4,6,8-tetraen-1-imine

nona-2,4,6,8-tetraen-1-imine (PubChem CID 71330773) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is nona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Namenona-2,4,6,8-tetraen-1-imine
PubChem CID71330773
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Namenona-2,4,6,8-tetraen-1-imine
SMILES[H]/N=C/C=CC=CC=CC=C
InChIInChI=1S/C9H11N/c1-2-3-4-5-6-7-8-9-10/h2-10H,1H2/b4-3?,6-5?,8-7?,10-9+
InChIKeyOTRVPDDFTFENMX-UCDYUXIVSA-N
XLogP2.49
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
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 nona-2,4,6,8-tetraen-1-imine?
The IUPAC name of nona-2,4,6,8-tetraen-1-imine (CID 71330773) is nona-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for nona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for nona-2,4,6,8-tetraen-1-imine is [H]/N=C/C=CC=CC=CC=C.
What is the InChIKey of nona-2,4,6,8-tetraen-1-imine?
The InChIKey is OTRVPDDFTFENMX-UCDYUXIVSA-N. The full InChI is InChI=1S/C9H11N/c1-2-3-4-5-6-7-8-9-10/h2-10H,1H2/b4-3?,6-5?,8-7?,10-9+.
What are the key properties of nona-2,4,6,8-tetraen-1-imine?
nona-2,4,6,8-tetraen-1-imine has a molecular weight of 133.19 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 71330773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).