(2S)-2-butyl-4-decylmorpholine

C18H37NO — CID 98152093

IUPAC(2S)-2-butyl-4-decylmorpholine
SMILESCCCCCCCCCCN1CCO[C@@H](CCCC)C1
InChIInChI=1S/C18H37NO/c1-3-5-7-8-9-10-11-12-14-19-15-16-20-18(17-19)13-6-4-2/h18H,3-17H2,1-2H3/t18-/m0/s1
InChIKeyYCYNWTKRLWRQRU-SFHVURJKSA-N
MW283.50 g/mol
LogP5.02
Rot. Bonds12

About (2S)-2-butyl-4-decylmorpholine

(2S)-2-butyl-4-decylmorpholine (PubChem CID 98152093) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is (2S)-2-butyl-4-decylmorpholine.

Molecular Properties

Compound Name(2S)-2-butyl-4-decylmorpholine
PubChem CID98152093
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name(2S)-2-butyl-4-decylmorpholine
SMILESCCCCCCCCCCN1CCO[C@@H](CCCC)C1
InChIInChI=1S/C18H37NO/c1-3-5-7-8-9-10-11-12-14-19-15-16-20-18(17-19)13-6-4-2/h18H,3-17H2,1-2H3/t18-/m0/s1
InChIKeyYCYNWTKRLWRQRU-SFHVURJKSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-dodecyl-2-ethylmorpholine
CID 4616518
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
2-(chloromethyl)-4-pentylmorpholine
CID 81213679
N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine
CID 138727292
2-benzyl-4-dodecylmorpholine
CID 70634633
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine
CID 163401530
4-ethyl-2-propylmorpholine
CID 127673597
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butyl-4-decylmorpholine?
The IUPAC name of (2S)-2-butyl-4-decylmorpholine (CID 98152093) is (2S)-2-butyl-4-decylmorpholine.
What is the SMILES notation for (2S)-2-butyl-4-decylmorpholine?
The canonical SMILES for (2S)-2-butyl-4-decylmorpholine is CCCCCCCCCCN1CCO[C@@H](CCCC)C1.
What is the InChIKey of (2S)-2-butyl-4-decylmorpholine?
The InChIKey is YCYNWTKRLWRQRU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-5-7-8-9-10-11-12-14-19-15-16-20-18(17-19)13-6-4-2/h18H,3-17H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-butyl-4-decylmorpholine?
(2S)-2-butyl-4-decylmorpholine has a molecular weight of 283.50 g/mol, XLogP of 5.02, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butyl-4-decylmorpholine is sourced from PubChem (CID 98152093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).