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

C9H13N — CID 163245070

IUPAC(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
SMILES[H]/N=C/C1=C(C)CCC=C1C
InChIInChI=1S/C9H13N/c1-7-4-3-5-8(2)9(7)6-10/h4,6,10H,3,5H2,1-2H3/b10-6+
InChIKeyGSDJPGLDQZOWLG-UXBLZVDNSA-N
MW135.21 g/mol
LogP2.69
Rot. Bonds1

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

(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine (PubChem CID 163245070) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine.

Molecular Properties

Compound Name(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
PubChem CID163245070
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
SMILES[H]/N=C/C1=C(C)CCC=C1C
InChIInChI=1S/C9H13N/c1-7-4-3-5-8(2)9(7)6-10/h4,6,10H,3,5H2,1-2H3/b10-6+
InChIKeyGSDJPGLDQZOWLG-UXBLZVDNSA-N
XLogP2.69
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene
CID 163245069
2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 14982407
1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 169233651
1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene
CID 145256525
ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine
CID 144895641
3-chloro-1-methyl-2-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 167200063
6-methanimidoylcyclohexa-1,5-dien-1-amine
CID 142103720
6-tert-butyl-2-methylcyclohepta-2,6-dien-1-imine
CID 91437087
(Z)-3-(2-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 144659223
1-methylcyclobutene;sulfane
CID 90109296
ethane;1-methylcyclobutene
CID 91484029
5-ethylidene-1-methylcyclopentene
CID 123192916

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine?
The IUPAC name of (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine (CID 163245070) is (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine.
What is the SMILES notation for (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine?
The canonical SMILES for (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine is [H]/N=C/C1=C(C)CCC=C1C.
What is the InChIKey of (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine?
The InChIKey is GSDJPGLDQZOWLG-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H13N/c1-7-4-3-5-8(2)9(7)6-10/h4,6,10H,3,5H2,1-2H3/b10-6+.
What are the key properties of (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine?
(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine has a molecular weight of 135.21 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine is sourced from PubChem (CID 163245070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).