N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine

C8H11N — CID 123911405

IUPACN-(2-methylcyclohexa-2,4-dien-1-yl)methanimine
SMILESC=NC1CC=CC=C1C
InChIInChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-5,8H,2,6H2,1H3
InChIKeySBWFNQXCIHYVKZ-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds1

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

N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine (PubChem CID 123911405) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(2-methylcyclohexa-2,4-dien-1-yl)methanimine
PubChem CID123911405
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-(2-methylcyclohexa-2,4-dien-1-yl)methanimine
SMILESC=NC1CC=CC=C1C
InChIInChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-5,8H,2,6H2,1H3
InChIKeySBWFNQXCIHYVKZ-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.96
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
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CID 129791915
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CID 142913204
N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine
CID 142913457
N-(2-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
CID 20532021
N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine
CID 20817701
6-Isocyano-1-methylcyclohexa-1,3-diene
CID 22980789
N-(6-propan-2-ylidenecyclohexa-2,4-dien-1-yl)propan-2-imine
CID 59974766
2-Prop-1-en-2-yl-2,3-dihydropyridine
CID 70308527
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-(2-methylcyclohexa-2,4-dien-1-yl)methanimine?
The IUPAC name of N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine (CID 123911405) is N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine.
What is the SMILES notation for N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine?
The canonical SMILES for N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine is C=NC1CC=CC=C1C.
What is the InChIKey of N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine?
The InChIKey is SBWFNQXCIHYVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-5,8H,2,6H2,1H3.
What are the key properties of N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine?
N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine has a molecular weight of 121.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 123911405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).