2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal

C14H27NO2 — CID 62276051

IUPAC2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
SMILESCCC(C)(C=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-3-14(2,12-17)11-15(9-10-16)13-7-5-4-6-8-13/h12-13,16H,3-11H2,1-2H3
InChIKeyFLXXXZAJDQQOCG-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.23
Rot. Bonds7

About 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal

2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal (PubChem CID 62276051) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal.

Molecular Properties

Compound Name2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
PubChem CID62276051
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
SMILESCCC(C)(C=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-3-14(2,12-17)11-15(9-10-16)13-7-5-4-6-8-13/h12-13,16H,3-11H2,1-2H3
InChIKeyFLXXXZAJDQQOCG-UHFFFAOYSA-N
XLogP2.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.23
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 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal?
The IUPAC name of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal (CID 62276051) is 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal.
What is the SMILES notation for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal?
The canonical SMILES for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal is CCC(C)(C=O)CN(CCO)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal?
The InChIKey is FLXXXZAJDQQOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-14(2,12-17)11-15(9-10-16)13-7-5-4-6-8-13/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal?
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal has a molecular weight of 241.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal is sourced from PubChem (CID 62276051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).