(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine

C20H41NO2 — CID 158651768

IUPAC(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine
SMILESCC(C)(C)CCCOCCN1CCO[C@@H](CCCC(C)(C)C)C1
InChIInChI=1S/C20H41NO2/c1-19(2,3)10-7-9-18-17-21(13-16-23-18)12-15-22-14-8-11-20(4,5)6/h18H,7-17H2,1-6H3/t18-/m0/s1
InChIKeyIBQJOHWFOFCBQJ-SFHVURJKSA-N
MW327.55 g/mol
LogP4.75
Rot. Bonds9

About (2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine

(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine (PubChem CID 158651768) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is (2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine
PubChem CID158651768
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine
SMILESCC(C)(C)CCCOCCN1CCO[C@@H](CCCC(C)(C)C)C1
InChIInChI=1S/C20H41NO2/c1-19(2,3)10-7-9-18-17-21(13-16-23-18)12-15-22-14-8-11-20(4,5)6/h18H,7-17H2,1-6H3/t18-/m0/s1
InChIKeyIBQJOHWFOFCBQJ-SFHVURJKSA-N
XLogP4.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.55
LogP ≤ 54.75
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

N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 138727616
N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
CID 166800924
N-[[(2R)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2,5,5-trimethyl-8-[2-[2-[(2-methylpropanoylamino)methyl]morpholin-4-yl]ethoxy]octanamide
CID 170057233
N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine
CID 166800930
4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine
CID 142623125
(2S)-2-butyl-4-decylmorpholine
CID 98152093
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine
CID 103413126
N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide
CID 170091257
1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
CID 139545698
ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 176933389
N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide
CID 156795250

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine?
The IUPAC name of (2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine (CID 158651768) is (2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine.
What is the SMILES notation for (2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine?
The canonical SMILES for (2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine is CC(C)(C)CCCOCCN1CCO[C@@H](CCCC(C)(C)C)C1.
What is the InChIKey of (2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine?
The InChIKey is IBQJOHWFOFCBQJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H41NO2/c1-19(2,3)10-7-9-18-17-21(13-16-23-18)12-15-22-14-8-11-20(4,5)6/h18H,7-17H2,1-6H3/t18-/m0/s1.
What are the key properties of (2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine?
(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine has a molecular weight of 327.55 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine is sourced from PubChem (CID 158651768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).