1-(diethylaminomethyl)cyclohexane-1-carbaldehyde

C12H23NO — CID 62277122

IUPAC1-(diethylaminomethyl)cyclohexane-1-carbaldehyde
SMILESCCN(CC)CC1(C=O)CCCCC1
InChIInChI=1S/C12H23NO/c1-3-13(4-2)10-12(11-14)8-6-5-7-9-12/h11H,3-10H2,1-2H3
InChIKeyUVOQNWMXKLMDHT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds5

About 1-(diethylaminomethyl)cyclohexane-1-carbaldehyde

1-(diethylaminomethyl)cyclohexane-1-carbaldehyde (PubChem CID 62277122) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(diethylaminomethyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(diethylaminomethyl)cyclohexane-1-carbaldehyde
PubChem CID62277122
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(diethylaminomethyl)cyclohexane-1-carbaldehyde
SMILESCCN(CC)CC1(C=O)CCCCC1
InChIInChI=1S/C12H23NO/c1-3-13(4-2)10-12(11-14)8-6-5-7-9-12/h11H,3-10H2,1-2H3
InChIKeyUVOQNWMXKLMDHT-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
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 1-(diethylaminomethyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 1-(diethylaminomethyl)cyclohexane-1-carbaldehyde (CID 62277122) is 1-(diethylaminomethyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(diethylaminomethyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(diethylaminomethyl)cyclohexane-1-carbaldehyde is CCN(CC)CC1(C=O)CCCCC1.
What is the InChIKey of 1-(diethylaminomethyl)cyclohexane-1-carbaldehyde?
The InChIKey is UVOQNWMXKLMDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13(4-2)10-12(11-14)8-6-5-7-9-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-(diethylaminomethyl)cyclohexane-1-carbaldehyde?
1-(diethylaminomethyl)cyclohexane-1-carbaldehyde has a molecular weight of 197.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylaminomethyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 62277122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).