(2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine

C19H39NO — CID 13391726

IUPAC(2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine
SMILESCC(C)CCCCCCCCCCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H39NO/c1-17(2)13-11-9-7-5-6-8-10-12-14-20-15-18(3)21-19(4)16-20/h17-19H,5-16H2,1-4H3/t18-,19-/m0/s1
InChIKeyXMYFRZRAPHIBQQ-OALUTQOASA-N
MW297.53 g/mol
LogP5.26
Rot. Bonds11

About (2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine

(2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine (PubChem CID 13391726) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine
PubChem CID13391726
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name(2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine
SMILESCC(C)CCCCCCCCCCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H39NO/c1-17(2)13-11-9-7-5-6-8-10-12-14-20-15-18(3)21-19(4)16-20/h17-19H,5-16H2,1-4H3/t18-,19-/m0/s1
InChIKeyXMYFRZRAPHIBQQ-OALUTQOASA-N
XLogP5.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.26
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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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine (CID 13391726) is (2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine is CC(C)CCCCCCCCCCN1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine?
The InChIKey is XMYFRZRAPHIBQQ-OALUTQOASA-N. The full InChI is InChI=1S/C19H39NO/c1-17(2)13-11-9-7-5-6-8-10-12-14-20-15-18(3)21-19(4)16-20/h17-19H,5-16H2,1-4H3/t18-,19-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine?
(2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine has a molecular weight of 297.53 g/mol, XLogP of 5.26, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine is sourced from PubChem (CID 13391726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).