N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine

C8H11N — CID 89090874

IUPACN-(cyclohexa-2,4-dien-1-ylmethyl)methanimine
SMILESC=NCC1C=CC=CC1
InChIInChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-5,8H,1,6-7H2
InChIKeyUXDABRFMOVNQAZ-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.82
Rot. Bonds2

About N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine

N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine (PubChem CID 89090874) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine.

Molecular Properties

Compound NameN-(cyclohexa-2,4-dien-1-ylmethyl)methanimine
PubChem CID89090874
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-(cyclohexa-2,4-dien-1-ylmethyl)methanimine
SMILESC=NCC1C=CC=CC1
InChIInChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-5,8H,1,6-7H2
InChIKeyUXDABRFMOVNQAZ-UHFFFAOYSA-N
XLogP1.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine?
The IUPAC name of N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine (CID 89090874) is N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine.
What is the SMILES notation for N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine?
The canonical SMILES for N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine is C=NCC1C=CC=CC1.
What is the InChIKey of N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine?
The InChIKey is UXDABRFMOVNQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-5,8H,1,6-7H2.
What are the key properties of N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine?
N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine has a molecular weight of 121.18 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine is sourced from PubChem (CID 89090874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).