4-(7-methyltridecan-7-yl)morpholine

C18H37NO — CID 129066954

IUPAC4-(7-methyltridecan-7-yl)morpholine
SMILESCCCCCCC(C)(CCCCCC)N1CCOCC1
InChIInChI=1S/C18H37NO/c1-4-6-8-10-12-18(3,13-11-9-7-5-2)19-14-16-20-17-15-19/h4-17H2,1-3H3
InChIKeyKKAPKIMCFRVSRI-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.02
Rot. Bonds11

About 4-(7-methyltridecan-7-yl)morpholine

4-(7-methyltridecan-7-yl)morpholine (PubChem CID 129066954) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-(7-methyltridecan-7-yl)morpholine.

Molecular Properties

Compound Name4-(7-methyltridecan-7-yl)morpholine
PubChem CID129066954
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name4-(7-methyltridecan-7-yl)morpholine
SMILESCCCCCCC(C)(CCCCCC)N1CCOCC1
InChIInChI=1S/C18H37NO/c1-4-6-8-10-12-18(3,13-11-9-7-5-2)19-14-16-20-17-15-19/h4-17H2,1-3H3
InChIKeyKKAPKIMCFRVSRI-UHFFFAOYSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyltridecan-7-yl)morpholine?
The IUPAC name of 4-(7-methyltridecan-7-yl)morpholine (CID 129066954) is 4-(7-methyltridecan-7-yl)morpholine.
What is the SMILES notation for 4-(7-methyltridecan-7-yl)morpholine?
The canonical SMILES for 4-(7-methyltridecan-7-yl)morpholine is CCCCCCC(C)(CCCCCC)N1CCOCC1.
What is the InChIKey of 4-(7-methyltridecan-7-yl)morpholine?
The InChIKey is KKAPKIMCFRVSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-6-8-10-12-18(3,13-11-9-7-5-2)19-14-16-20-17-15-19/h4-17H2,1-3H3.
What are the key properties of 4-(7-methyltridecan-7-yl)morpholine?
4-(7-methyltridecan-7-yl)morpholine has a molecular weight of 283.50 g/mol, XLogP of 5.02, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyltridecan-7-yl)morpholine is sourced from PubChem (CID 129066954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).