1-cyclohexa-1,3-dien-1-yl-N-methylethanimine

C9H13N — CID 59809510

IUPAC1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
SMILESC/N=C(\C)C1=CC=CCC1
InChIInChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-4,6H,5,7H2,1-2H3/b10-8+
InChIKeyZCWXPKVCMIXORX-CSKARUKUSA-N
MW135.21 g/mol
LogP2.35
Rot. Bonds1

About 1-cyclohexa-1,3-dien-1-yl-N-methylethanimine

1-cyclohexa-1,3-dien-1-yl-N-methylethanimine (PubChem CID 59809510) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-N-methylethanimine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
PubChem CID59809510
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
SMILESC/N=C(\C)C1=CC=CCC1
InChIInChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-4,6H,5,7H2,1-2H3/b10-8+
InChIKeyZCWXPKVCMIXORX-CSKARUKUSA-N
XLogP2.35
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 ≤ 52.35
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 1-cyclohexa-1,3-dien-1-yl-N-methylethanimine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-methylethanimine (CID 59809510) is 1-cyclohexa-1,3-dien-1-yl-N-methylethanimine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-N-methylethanimine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-N-methylethanimine is C/N=C(\C)C1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-N-methylethanimine?
The InChIKey is ZCWXPKVCMIXORX-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-4,6H,5,7H2,1-2H3/b10-8+.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-N-methylethanimine?
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine has a molecular weight of 135.21 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-N-methylethanimine is sourced from PubChem (CID 59809510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).