2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde

C11H22N2O2 — CID 162424221

IUPAC2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde
SMILESCC(C)(C)NCCC1CN(C=O)CCO1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)12-5-4-10-8-13(9-14)6-7-15-10/h9-10,12H,4-8H2,1-3H3
InChIKeyYKYMOBKOCOTDJB-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds4

About 2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde

2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde (PubChem CID 162424221) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde
PubChem CID162424221
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde
SMILESCC(C)(C)NCCC1CN(C=O)CCO1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)12-5-4-10-8-13(9-14)6-7-15-10/h9-10,12H,4-8H2,1-3H3
InChIKeyYKYMOBKOCOTDJB-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-methylpropan-2-amine
CID 162424315
2-(2-methylpropyl)morpholine-4-carbaldehyde
CID 174559381
2-methyl-N-[3-[(2R)-4-methylmorpholin-2-yl]propyl]propan-2-amine
CID 162424215
1-[(2R)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[(2S)-2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;1-[2-[3-(tert-butylamino)-2,2-dimethylpropyl]morpholin-4-yl]ethanone;3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3R)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;(3S)-3-[(tert-butylamino)methyl]piperidine-1-carbaldehyde;1-[(3S)-3-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;(2R)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;(2S)-2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde;2-[3-(tert-butylamino)propyl]morpholine-4-carbaldehyde
CID 163665004
N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60850473
(2R)-2-cyclopropylmorpholine-4-carbaldehyde
CID 167506006
2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide
CID 56720862
2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane
CID 168940416
2,2-dimethyl-N-[2-(4-phenylmorpholin-2-yl)ethyl]propanamide
CID 110709813
2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81202840
2-[(2S)-4-ethylmorpholin-2-yl]-N-methylethanamine
CID 94133449
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde?
The IUPAC name of 2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde (CID 162424221) is 2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde.
What is the SMILES notation for 2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde?
The canonical SMILES for 2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde is CC(C)(C)NCCC1CN(C=O)CCO1.
What is the InChIKey of 2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde?
The InChIKey is YKYMOBKOCOTDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)12-5-4-10-8-13(9-14)6-7-15-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde?
2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde has a molecular weight of 214.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethyl]morpholine-4-carbaldehyde is sourced from PubChem (CID 162424221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).