2-[2-hydroxyethyl(propyl)amino]acetaldehyde

C7H15NO2 — CID 62051333

IUPAC2-[2-hydroxyethyl(propyl)amino]acetaldehyde
SMILESCCCN(CC=O)CCO
InChIInChI=1S/C7H15NO2/c1-2-3-8(4-6-9)5-7-10/h6,10H,2-5,7H2,1H3
InChIKeyOHEMGNJYAIXFJE-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.11
Rot. Bonds6

About 2-[2-hydroxyethyl(propyl)amino]acetaldehyde

2-[2-hydroxyethyl(propyl)amino]acetaldehyde (PubChem CID 62051333) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]acetaldehyde
PubChem CID62051333
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-[2-hydroxyethyl(propyl)amino]acetaldehyde
SMILESCCCN(CC=O)CCO
InChIInChI=1S/C7H15NO2/c1-2-3-8(4-6-9)5-7-10/h6,10H,2-5,7H2,1H3
InChIKeyOHEMGNJYAIXFJE-UHFFFAOYSA-N
XLogP-0.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
CID 174894072
2-[methyl-[2-[2-oxoethyl(propyl)amino]ethylsulfanylmethyl]amino]acetaldehyde
CID 155395009
2-[2-chloroethyl(propyl)amino]ethanol
CID 61425253
2-[decyl-[2-[decyl(nonyl)amino]ethyl]amino]acetaldehyde
CID 145405508
2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol
CID 87517787
2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol
CID 118332539
N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride
CID 173448711
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]acetaldehyde?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]acetaldehyde (CID 62051333) is 2-[2-hydroxyethyl(propyl)amino]acetaldehyde.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]acetaldehyde?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]acetaldehyde is CCCN(CC=O)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]acetaldehyde?
The InChIKey is OHEMGNJYAIXFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-3-8(4-6-9)5-7-10/h6,10H,2-5,7H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]acetaldehyde?
2-[2-hydroxyethyl(propyl)amino]acetaldehyde has a molecular weight of 145.20 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]acetaldehyde is sourced from PubChem (CID 62051333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).