4-methyl-2-nonan-3-ylmorpholine

C14H29NO — CID 126487829

IUPAC4-methyl-2-nonan-3-ylmorpholine
SMILESCCCCCCC(CC)C1CN(C)CCO1
InChIInChI=1S/C14H29NO/c1-4-6-7-8-9-13(5-2)14-12-15(3)10-11-16-14/h13-14H,4-12H2,1-3H3
InChIKeyXUFFGKDMAOSKDO-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.31
Rot. Bonds7

About 4-methyl-2-nonan-3-ylmorpholine

4-methyl-2-nonan-3-ylmorpholine (PubChem CID 126487829) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-methyl-2-nonan-3-ylmorpholine.

Molecular Properties

Compound Name4-methyl-2-nonan-3-ylmorpholine
PubChem CID126487829
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-methyl-2-nonan-3-ylmorpholine
SMILESCCCCCCC(CC)C1CN(C)CCO1
InChIInChI=1S/C14H29NO/c1-4-6-7-8-9-13(5-2)14-12-15(3)10-11-16-14/h13-14H,4-12H2,1-3H3
InChIKeyXUFFGKDMAOSKDO-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.31
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-methyl-2-nonan-3-ylmorpholine?
The IUPAC name of 4-methyl-2-nonan-3-ylmorpholine (CID 126487829) is 4-methyl-2-nonan-3-ylmorpholine.
What is the SMILES notation for 4-methyl-2-nonan-3-ylmorpholine?
The canonical SMILES for 4-methyl-2-nonan-3-ylmorpholine is CCCCCCC(CC)C1CN(C)CCO1.
What is the InChIKey of 4-methyl-2-nonan-3-ylmorpholine?
The InChIKey is XUFFGKDMAOSKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-6-7-8-9-13(5-2)14-12-15(3)10-11-16-14/h13-14H,4-12H2,1-3H3.
What are the key properties of 4-methyl-2-nonan-3-ylmorpholine?
4-methyl-2-nonan-3-ylmorpholine has a molecular weight of 227.39 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-nonan-3-ylmorpholine is sourced from PubChem (CID 126487829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).