N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine

C8H9N — CID 123336992

IUPACN-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
SMILESC=NC1C=CC=CC1=C
InChIInChI=1S/C8H9N/c1-7-5-3-4-6-8(7)9-2/h3-6,8H,1-2H2
InChIKeyMDRAUAZDXUDSTA-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.74
Rot. Bonds1

About N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine

N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine (PubChem CID 123336992) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
PubChem CID123336992
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC NameN-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
SMILESC=NC1C=CC=CC1=C
InChIInChI=1S/C8H9N/c1-7-5-3-4-6-8(7)9-2/h3-6,8H,1-2H2
InChIKeyMDRAUAZDXUDSTA-UHFFFAOYSA-N
XLogP1.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.74
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

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CID 70417807
Methylenephenyl isocyanate
CID 87578764
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N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine
CID 142913457
N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine
CID 20817701
6-Isocyano-1-methylcyclohexa-1,3-diene
CID 22980789
N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine
CID 59876420
N-(6-propan-2-ylidenecyclohexa-2,4-dien-1-yl)propan-2-imine
CID 59974766
N-(6-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 89000302
N-(2-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 89001015
N-(3-tert-butylcyclohexa-2,4-dien-1-yl)methanimine
CID 89125939

Frequently Asked Questions

What is the IUPAC name of N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine?
The IUPAC name of N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine (CID 123336992) is N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine.
What is the SMILES notation for N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine?
The canonical SMILES for N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine is C=NC1C=CC=CC1=C.
What is the InChIKey of N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine?
The InChIKey is MDRAUAZDXUDSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-7-5-3-4-6-8(7)9-2/h3-6,8H,1-2H2.
What are the key properties of N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine?
N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine has a molecular weight of 119.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 123336992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).