2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde

C8H17NO2 — CID 91396061

IUPAC2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde
SMILESCC(C)(C)N(CC=O)CCO
InChIInChI=1S/C8H17NO2/c1-8(2,3)9(4-6-10)5-7-11/h6,11H,4-5,7H2,1-3H3
InChIKeyFHXZJNIZQXOKEP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.28
Rot. Bonds4

About 2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde

2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde (PubChem CID 91396061) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde
PubChem CID91396061
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde
SMILESCC(C)(C)N(CC=O)CCO
InChIInChI=1S/C8H17NO2/c1-8(2,3)9(4-6-10)5-7-11/h6,11H,4-5,7H2,1-3H3
InChIKeyFHXZJNIZQXOKEP-UHFFFAOYSA-N
XLogP0.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.28
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-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde?
The IUPAC name of 2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde (CID 91396061) is 2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde.
What is the SMILES notation for 2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde?
The canonical SMILES for 2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde is CC(C)(C)N(CC=O)CCO.
What is the InChIKey of 2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde?
The InChIKey is FHXZJNIZQXOKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)9(4-6-10)5-7-11/h6,11H,4-5,7H2,1-3H3.
What are the key properties of 2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde?
2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde has a molecular weight of 159.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(2-hydroxyethyl)amino]acetaldehyde is sourced from PubChem (CID 91396061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).