N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine

C9H13N — CID 89246524

IUPACN-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
SMILESC=NC1=C(C)CCC=C1C
InChIInChI=1S/C9H13N/c1-7-5-4-6-8(2)9(7)10-3/h5H,3-4,6H2,1-2H3
InChIKeyCDGCCLKPBWUBPQ-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.70
Rot. Bonds1

About N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine

N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine (PubChem CID 89246524) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
PubChem CID89246524
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
SMILESC=NC1=C(C)CCC=C1C
InChIInChI=1S/C9H13N/c1-7-5-4-6-8(2)9(7)10-3/h5H,3-4,6H2,1-2H3
InChIKeyCDGCCLKPBWUBPQ-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.70
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-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine?
The IUPAC name of N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine (CID 89246524) is N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine.
What is the SMILES notation for N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine?
The canonical SMILES for N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine is C=NC1=C(C)CCC=C1C.
What is the InChIKey of N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine?
The InChIKey is CDGCCLKPBWUBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-5-4-6-8(2)9(7)10-3/h5H,3-4,6H2,1-2H3.
What are the key properties of N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine?
N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine has a molecular weight of 135.21 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine is sourced from PubChem (CID 89246524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).