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

C15H29NO2 — CID 62276244

IUPAC2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal
SMILESCCC(C=O)(CC)CN(CCO)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-3-15(4-2,13-18)12-16(10-11-17)14-8-6-5-7-9-14/h13-14,17H,3-12H2,1-2H3
InChIKeyATTGBSFMTSTJBQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.62
Rot. Bonds8

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

2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal (PubChem CID 62276244) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal.

Molecular Properties

Compound Name2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal
PubChem CID62276244
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal
SMILESCCC(C=O)(CC)CN(CCO)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-3-15(4-2,13-18)12-16(10-11-17)14-8-6-5-7-9-14/h13-14,17H,3-12H2,1-2H3
InChIKeyATTGBSFMTSTJBQ-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.62
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-ethylbutanal?
The IUPAC name of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal (CID 62276244) is 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal.
What is the SMILES notation for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal?
The canonical SMILES for 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal is CCC(C=O)(CC)CN(CCO)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal?
The InChIKey is ATTGBSFMTSTJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-15(4-2,13-18)12-16(10-11-17)14-8-6-5-7-9-14/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal?
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal has a molecular weight of 255.40 g/mol, XLogP of 2.62, 8 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-ethylbutanal is sourced from PubChem (CID 62276244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).