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

C9H13N — CID 67966293

IUPACN-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine
SMILESC/N=C/C1C=CC=CC1C
InChIInChI=1S/C9H13N/c1-8-5-3-4-6-9(8)7-10-2/h3-9H,1-2H3/b10-7+
InChIKeyQZVAKCILNUCWFS-JXMROGBWSA-N
MW135.21 g/mol
LogP2.07
Rot. Bonds1

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

N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine (PubChem CID 67966293) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine
PubChem CID67966293
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine
SMILESC/N=C/C1C=CC=CC1C
InChIInChI=1S/C9H13N/c1-8-5-3-4-6-9(8)7-10-2/h3-9H,1-2H3/b10-7+
InChIKeyQZVAKCILNUCWFS-JXMROGBWSA-N
XLogP2.07
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 ≤ 52.07
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-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine?
The IUPAC name of N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine (CID 67966293) is N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine.
What is the SMILES notation for N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine?
The canonical SMILES for N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine is C/N=C/C1C=CC=CC1C.
What is the InChIKey of N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine?
The InChIKey is QZVAKCILNUCWFS-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13N/c1-8-5-3-4-6-9(8)7-10-2/h3-9H,1-2H3/b10-7+.
What are the key properties of N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine?
N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine has a molecular weight of 135.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 67966293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).