2-(morpholin-4-ylmethyl)pentanal

C10H19NO2 — CID 143181502

IUPAC2-(morpholin-4-ylmethyl)pentanal
SMILESCCCC(C=O)CN1CCOCC1
InChIInChI=1S/C10H19NO2/c1-2-3-10(9-12)8-11-4-6-13-7-5-11/h9-10H,2-8H2,1H3
InChIKeyXGINRLMXWGYTOM-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds5

About 2-(morpholin-4-ylmethyl)pentanal

2-(morpholin-4-ylmethyl)pentanal (PubChem CID 143181502) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)pentanal.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)pentanal
PubChem CID143181502
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(morpholin-4-ylmethyl)pentanal
SMILESCCCC(C=O)CN1CCOCC1
InChIInChI=1S/C10H19NO2/c1-2-3-10(9-12)8-11-4-6-13-7-5-11/h9-10H,2-8H2,1H3
InChIKeyXGINRLMXWGYTOM-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
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

3-methyl-4-morpholin-4-ylbutanal
CID 115013883
butane;4-(2-methylpropyl)morpholine
CID 155751822
4-(2-bromohexyl)morpholine
CID 19907055
1-morpholin-4-ylhexan-2-amine
CID 60852253
2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid
CID 83040790
4-ethylmorpholine;formic acid
CID 158286088
1-morpholin-4-ylheptan-2-ol
CID 15312312
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
(2S)-2-ethylpentanal
CID 71368973
(2S)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 107568380
(2R)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 103813602
2-methyl-2-(morpholin-4-ylmethyl)pentanal
CID 62276739

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)pentanal?
The IUPAC name of 2-(morpholin-4-ylmethyl)pentanal (CID 143181502) is 2-(morpholin-4-ylmethyl)pentanal.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)pentanal?
The canonical SMILES for 2-(morpholin-4-ylmethyl)pentanal is CCCC(C=O)CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)pentanal?
The InChIKey is XGINRLMXWGYTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-10(9-12)8-11-4-6-13-7-5-11/h9-10H,2-8H2,1H3.
What are the key properties of 2-(morpholin-4-ylmethyl)pentanal?
2-(morpholin-4-ylmethyl)pentanal has a molecular weight of 185.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)pentanal is sourced from PubChem (CID 143181502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).