4-methyliminocyclohexane-1-carbaldehyde

C8H13NO — CID 163688514

IUPAC4-methyliminocyclohexane-1-carbaldehyde
SMILESCN=C1CCC(C=O)CC1
InChIInChI=1S/C8H13NO/c1-9-8-4-2-7(6-10)3-5-8/h6-7H,2-5H2,1H3/b9-8-
InChIKeyJQZGUUQFUKCHBS-HJWRWDBZSA-N
MW139.20 g/mol
LogP1.45
Rot. Bonds1

About 4-methyliminocyclohexane-1-carbaldehyde

4-methyliminocyclohexane-1-carbaldehyde (PubChem CID 163688514) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-methyliminocyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-methyliminocyclohexane-1-carbaldehyde
PubChem CID163688514
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-methyliminocyclohexane-1-carbaldehyde
SMILESCN=C1CCC(C=O)CC1
InChIInChI=1S/C8H13NO/c1-9-8-4-2-7(6-10)3-5-8/h6-7H,2-5H2,1H3/b9-8-
InChIKeyJQZGUUQFUKCHBS-HJWRWDBZSA-N
XLogP1.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyliminocyclohexane-1-carbaldehyde?
The IUPAC name of 4-methyliminocyclohexane-1-carbaldehyde (CID 163688514) is 4-methyliminocyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-methyliminocyclohexane-1-carbaldehyde?
The canonical SMILES for 4-methyliminocyclohexane-1-carbaldehyde is CN=C1CCC(C=O)CC1.
What is the InChIKey of 4-methyliminocyclohexane-1-carbaldehyde?
The InChIKey is JQZGUUQFUKCHBS-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-8-4-2-7(6-10)3-5-8/h6-7H,2-5H2,1H3/b9-8-.
What are the key properties of 4-methyliminocyclohexane-1-carbaldehyde?
4-methyliminocyclohexane-1-carbaldehyde has a molecular weight of 139.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyliminocyclohexane-1-carbaldehyde is sourced from PubChem (CID 163688514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).