2-methyl-2-(morpholin-4-ylmethyl)pentanal

C11H21NO2 — CID 62276739

IUPAC2-methyl-2-(morpholin-4-ylmethyl)pentanal
SMILESCCCC(C)(C=O)CN1CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-4-11(2,10-13)9-12-5-7-14-8-6-12/h10H,3-9H2,1-2H3
InChIKeyFTWXJVBTTMBGIN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds5

About 2-methyl-2-(morpholin-4-ylmethyl)pentanal

2-methyl-2-(morpholin-4-ylmethyl)pentanal (PubChem CID 62276739) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-2-(morpholin-4-ylmethyl)pentanal.

Molecular Properties

Compound Name2-methyl-2-(morpholin-4-ylmethyl)pentanal
PubChem CID62276739
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-2-(morpholin-4-ylmethyl)pentanal
SMILESCCCC(C)(C=O)CN1CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-4-11(2,10-13)9-12-5-7-14-8-6-12/h10H,3-9H2,1-2H3
InChIKeyFTWXJVBTTMBGIN-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
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

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentanal
CID 62277156
2-[(4-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62277215
2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal
CID 66371570
2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal
CID 62278121
2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62276202
2-methyl-2-propylpentanal
CID 12587446
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-methylpentanal
CID 55050590
N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine
CID 62973356
2-[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]acetaldehyde
CID 91288121
2-methyl-1-morpholin-4-ylpropan-2-amine;dihydrochloride
CID 118511951
4-ethylmorpholine;formic acid
CID 158286088
2-(morpholin-4-ylmethyl)pentanal
CID 143181502

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(morpholin-4-ylmethyl)pentanal?
The IUPAC name of 2-methyl-2-(morpholin-4-ylmethyl)pentanal (CID 62276739) is 2-methyl-2-(morpholin-4-ylmethyl)pentanal.
What is the SMILES notation for 2-methyl-2-(morpholin-4-ylmethyl)pentanal?
The canonical SMILES for 2-methyl-2-(morpholin-4-ylmethyl)pentanal is CCCC(C)(C=O)CN1CCOCC1.
What is the InChIKey of 2-methyl-2-(morpholin-4-ylmethyl)pentanal?
The InChIKey is FTWXJVBTTMBGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-11(2,10-13)9-12-5-7-14-8-6-12/h10H,3-9H2,1-2H3.
What are the key properties of 2-methyl-2-(morpholin-4-ylmethyl)pentanal?
2-methyl-2-(morpholin-4-ylmethyl)pentanal has a molecular weight of 199.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(morpholin-4-ylmethyl)pentanal is sourced from PubChem (CID 62276739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).