N-cyclohexa-1,3-dien-1-ylmethanimine

C7H9N — CID 18317079

IUPACN-cyclohexa-1,3-dien-1-ylmethanimine
SMILESC=NC1=CC=CCC1
InChIInChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-3,5H,1,4,6H2
InChIKeyXVDUHUKBIOJXII-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.92
Rot. Bonds1

About N-cyclohexa-1,3-dien-1-ylmethanimine

N-cyclohexa-1,3-dien-1-ylmethanimine (PubChem CID 18317079) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-ylmethanimine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-ylmethanimine
PubChem CID18317079
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-cyclohexa-1,3-dien-1-ylmethanimine
SMILESC=NC1=CC=CCC1
InChIInChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-3,5H,1,4,6H2
InChIKeyXVDUHUKBIOJXII-UHFFFAOYSA-N
XLogP1.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine
CID 89198232
N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)buta-1,3-dienyl]methanimine
CID 123298650
N-cyclohexa-1,5-dien-1-ylmethanimine
CID 89069304
N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine
CID 118616451
N-hepta-3,5-dien-3-ylmethanimine
CID 123371851
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
Cyclohexa-1,5-dien-1-yl-methyl-methylideneazanium
CID 123763898
N-cyclohexa-1,3-dien-1-ylethanimine
CID 123849289
N-[(3Z)-hepta-1,3-dien-4-yl]methanimine
CID 124181090
N-[(3Z)-octa-1,3-dien-4-yl]methanimine
CID 124182390
N-[(3Z)-hexa-3,5-dien-3-yl]methanimine
CID 124182684
N-[(3Z)-hepta-1,3,6-trien-4-yl]methanimine
CID 124182783

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-ylmethanimine?
The IUPAC name of N-cyclohexa-1,3-dien-1-ylmethanimine (CID 18317079) is N-cyclohexa-1,3-dien-1-ylmethanimine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-ylmethanimine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-ylmethanimine is C=NC1=CC=CCC1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-ylmethanimine?
The InChIKey is XVDUHUKBIOJXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-3,5H,1,4,6H2.
What are the key properties of N-cyclohexa-1,3-dien-1-ylmethanimine?
N-cyclohexa-1,3-dien-1-ylmethanimine has a molecular weight of 107.16 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-ylmethanimine is sourced from PubChem (CID 18317079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).