3-methyl-4-morpholin-4-ylbutanal

C9H17NO2 — CID 115013883

IUPAC3-methyl-4-morpholin-4-ylbutanal
SMILESCC(CC=O)CN1CCOCC1
InChIInChI=1S/C9H17NO2/c1-9(2-5-11)8-10-3-6-12-7-4-10/h5,9H,2-4,6-8H2,1H3
InChIKeyVPPWFFKUVZEVCY-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.54
Rot. Bonds4

About 3-methyl-4-morpholin-4-ylbutanal

3-methyl-4-morpholin-4-ylbutanal (PubChem CID 115013883) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methyl-4-morpholin-4-ylbutanal.

Molecular Properties

Compound Name3-methyl-4-morpholin-4-ylbutanal
PubChem CID115013883
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methyl-4-morpholin-4-ylbutanal
SMILESCC(CC=O)CN1CCOCC1
InChIInChI=1S/C9H17NO2/c1-9(2-5-11)8-10-3-6-12-7-4-10/h5,9H,2-4,6-8H2,1H3
InChIKeyVPPWFFKUVZEVCY-UHFFFAOYSA-N
XLogP0.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(2-methylbutyl)morpholine
CID 142525427
trimethyl-(2-methyl-3-morpholin-4-ylpropyl)silane
CID 10488877
2-(morpholin-4-ylmethyl)pentanal
CID 143181502
4-[(2S)-2-methyl-3-propan-2-yloxypropyl]morpholine
CID 172528802
4-(2-methyloct-7-enyl)morpholine
CID 15370631
butane;4-(2-methylpropyl)morpholine
CID 155751822
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
4-[(2R)-1-morpholin-4-ylpropan-2-yl]morpholine
CID 28775628
N-butan-2-yl-2-methyl-3-morpholin-4-ylpropan-1-amine
CID 115722394
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
4-(2,5-dimethyloct-5-enyl)morpholine
CID 143299990
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79201322

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-morpholin-4-ylbutanal?
The IUPAC name of 3-methyl-4-morpholin-4-ylbutanal (CID 115013883) is 3-methyl-4-morpholin-4-ylbutanal.
What is the SMILES notation for 3-methyl-4-morpholin-4-ylbutanal?
The canonical SMILES for 3-methyl-4-morpholin-4-ylbutanal is CC(CC=O)CN1CCOCC1.
What is the InChIKey of 3-methyl-4-morpholin-4-ylbutanal?
The InChIKey is VPPWFFKUVZEVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2-5-11)8-10-3-6-12-7-4-10/h5,9H,2-4,6-8H2,1H3.
What are the key properties of 3-methyl-4-morpholin-4-ylbutanal?
3-methyl-4-morpholin-4-ylbutanal has a molecular weight of 171.24 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-morpholin-4-ylbutanal is sourced from PubChem (CID 115013883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).