2-(cyclohexylamino)acetaldehyde

C8H15NO — CID 22142127

IUPAC2-(cyclohexylamino)acetaldehyde
SMILESO=CCNC1CCCCC1
InChIInChI=1S/C8H15NO/c10-7-6-9-8-4-2-1-3-5-8/h7-9H,1-6H2
InChIKeyGQLLPAXZUPPCPI-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.11
Rot. Bonds3

About 2-(cyclohexylamino)acetaldehyde

2-(cyclohexylamino)acetaldehyde (PubChem CID 22142127) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(cyclohexylamino)acetaldehyde.

Molecular Properties

Compound Name2-(cyclohexylamino)acetaldehyde
PubChem CID22142127
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(cyclohexylamino)acetaldehyde
SMILESO=CCNC1CCCCC1
InChIInChI=1S/C8H15NO/c10-7-6-9-8-4-2-1-3-5-8/h7-9H,1-6H2
InChIKeyGQLLPAXZUPPCPI-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(cyclohexylamino)propanal
CID 18666973
2-[(4,4-Difluorocyclohexyl)amino]acetaldehyde
CID 87367733
2-(Cyclohexylamino)-2-fluoroacetaldehyde
CID 138643074
2-(Cyclohexylamino)-2-methylpropanal
CID 11116466
2-(6-Aminohexylamino)acetaldehyde
CID 18358431
2-(1-Methylhexylamino)acetaldehyde
CID 20307416
2-(Hexylamino)acetaldehyde
CID 20548465
N-cyclohexyl-2-oxoacetamide
CID 21031065
2-(Cyclopentylamino)acetaldehyde
CID 21195530
2-(Hexylamino)propanal
CID 22366868
2-(Pentylamino)propanal
CID 22366874
2-(Cyclohexylamino)propanal
CID 22397307

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)acetaldehyde?
The IUPAC name of 2-(cyclohexylamino)acetaldehyde (CID 22142127) is 2-(cyclohexylamino)acetaldehyde.
What is the SMILES notation for 2-(cyclohexylamino)acetaldehyde?
The canonical SMILES for 2-(cyclohexylamino)acetaldehyde is O=CCNC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)acetaldehyde?
The InChIKey is GQLLPAXZUPPCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c10-7-6-9-8-4-2-1-3-5-8/h7-9H,1-6H2.
What are the key properties of 2-(cyclohexylamino)acetaldehyde?
2-(cyclohexylamino)acetaldehyde has a molecular weight of 141.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)acetaldehyde is sourced from PubChem (CID 22142127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).