3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal

C13H25NO2 — CID 62276050

IUPAC3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-13(2,11-16)10-14(8-9-15)12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyAREFQZGUHAYRIM-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.84
Rot. Bonds6

About 3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal

3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal (PubChem CID 62276050) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal
PubChem CID62276050
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-13(2,11-16)10-14(8-9-15)12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyAREFQZGUHAYRIM-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal (CID 62276050) is 3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal is CC(C)(C=O)CN(CCO)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal?
The InChIKey is AREFQZGUHAYRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,11-16)10-14(8-9-15)12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal?
3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal has a molecular weight of 227.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 62276050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).