2-(methylamino)cyclohexane-1-carbaldehyde

C8H15NO — CID 22969368

IUPAC2-(methylamino)cyclohexane-1-carbaldehyde
SMILESCNC1CCCCC1C=O
InChIInChI=1S/C8H15NO/c1-9-8-5-3-2-4-7(8)6-10/h6-9H,2-5H2,1H3
InChIKeyHRYCLNFEDAJFCU-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.96
Rot. Bonds2

About 2-(methylamino)cyclohexane-1-carbaldehyde

2-(methylamino)cyclohexane-1-carbaldehyde (PubChem CID 22969368) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(methylamino)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-(methylamino)cyclohexane-1-carbaldehyde
PubChem CID22969368
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(methylamino)cyclohexane-1-carbaldehyde
SMILESCNC1CCCCC1C=O
InChIInChI=1S/C8H15NO/c1-9-8-5-3-2-4-7(8)6-10/h6-9H,2-5H2,1H3
InChIKeyHRYCLNFEDAJFCU-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)cyclohexane-1-carbaldehyde?
The IUPAC name of 2-(methylamino)cyclohexane-1-carbaldehyde (CID 22969368) is 2-(methylamino)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-(methylamino)cyclohexane-1-carbaldehyde?
The canonical SMILES for 2-(methylamino)cyclohexane-1-carbaldehyde is CNC1CCCCC1C=O.
What is the InChIKey of 2-(methylamino)cyclohexane-1-carbaldehyde?
The InChIKey is HRYCLNFEDAJFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-8-5-3-2-4-7(8)6-10/h6-9H,2-5H2,1H3.
What are the key properties of 2-(methylamino)cyclohexane-1-carbaldehyde?
2-(methylamino)cyclohexane-1-carbaldehyde has a molecular weight of 141.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 22969368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).