3-methyl-3-morpholin-4-yldecan-4-one

C15H29NO2 — CID 79065458

IUPAC3-methyl-3-morpholin-4-yldecan-4-one
SMILESCCCCCCC(=O)C(C)(CC)N1CCOCC1
InChIInChI=1S/C15H29NO2/c1-4-6-7-8-9-14(17)15(3,5-2)16-10-12-18-13-11-16/h4-13H2,1-3H3
InChIKeyNJLYWBHYEPJLEQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.03
Rot. Bonds8

About 3-methyl-3-morpholin-4-yldecan-4-one

3-methyl-3-morpholin-4-yldecan-4-one (PubChem CID 79065458) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-methyl-3-morpholin-4-yldecan-4-one.

Molecular Properties

Compound Name3-methyl-3-morpholin-4-yldecan-4-one
PubChem CID79065458
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-methyl-3-morpholin-4-yldecan-4-one
SMILESCCCCCCC(=O)C(C)(CC)N1CCOCC1
InChIInChI=1S/C15H29NO2/c1-4-6-7-8-9-14(17)15(3,5-2)16-10-12-18-13-11-16/h4-13H2,1-3H3
InChIKeyNJLYWBHYEPJLEQ-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one
CID 114854047
1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one
CID 79065692
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
2,5-dimethyl-5-morpholin-4-ylheptan-4-one
CID 79065685
4-methyl-4-morpholin-4-yl-1-thiophen-2-ylhexan-3-one
CID 79065617
2-methyl-2-pyrrolidin-1-ylundecan-3-one
CID 79056598
2-(azepan-1-yl)-2-methylundecan-3-one
CID 79050742
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
1-ethylsulfonyl-5-methyl-5-pyrrolidin-1-ylheptan-4-one
CID 79068853
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
4-(5-methyldodecan-5-yl)morpholine
CID 138551223
4-methyl-4-piperidin-1-ylhexan-3-one
CID 79069360

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-morpholin-4-yldecan-4-one?
The IUPAC name of 3-methyl-3-morpholin-4-yldecan-4-one (CID 79065458) is 3-methyl-3-morpholin-4-yldecan-4-one.
What is the SMILES notation for 3-methyl-3-morpholin-4-yldecan-4-one?
The canonical SMILES for 3-methyl-3-morpholin-4-yldecan-4-one is CCCCCCC(=O)C(C)(CC)N1CCOCC1.
What is the InChIKey of 3-methyl-3-morpholin-4-yldecan-4-one?
The InChIKey is NJLYWBHYEPJLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-7-8-9-14(17)15(3,5-2)16-10-12-18-13-11-16/h4-13H2,1-3H3.
What are the key properties of 3-methyl-3-morpholin-4-yldecan-4-one?
3-methyl-3-morpholin-4-yldecan-4-one has a molecular weight of 255.40 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-morpholin-4-yldecan-4-one is sourced from PubChem (CID 79065458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).