4-(2-methyloctyl)morpholine

C13H27NO — CID 15317280

IUPAC4-(2-methyloctyl)morpholine
SMILESCCCCCCC(C)CN1CCOCC1
InChIInChI=1S/C13H27NO/c1-3-4-5-6-7-13(2)12-14-8-10-15-11-9-14/h13H,3-12H2,1-2H3
InChIKeyBZZWTIJQIIHRPN-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.93
Rot. Bonds7

About 4-(2-methyloctyl)morpholine

4-(2-methyloctyl)morpholine (PubChem CID 15317280) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-(2-methyloctyl)morpholine.

Molecular Properties

Compound Name4-(2-methyloctyl)morpholine
PubChem CID15317280
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-(2-methyloctyl)morpholine
SMILESCCCCCCC(C)CN1CCOCC1
InChIInChI=1S/C13H27NO/c1-3-4-5-6-7-13(2)12-14-8-10-15-11-9-14/h13H,3-12H2,1-2H3
InChIKeyBZZWTIJQIIHRPN-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.93
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-(2-methyloctyl)morpholine?
The IUPAC name of 4-(2-methyloctyl)morpholine (CID 15317280) is 4-(2-methyloctyl)morpholine.
What is the SMILES notation for 4-(2-methyloctyl)morpholine?
The canonical SMILES for 4-(2-methyloctyl)morpholine is CCCCCCC(C)CN1CCOCC1.
What is the InChIKey of 4-(2-methyloctyl)morpholine?
The InChIKey is BZZWTIJQIIHRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-5-6-7-13(2)12-14-8-10-15-11-9-14/h13H,3-12H2,1-2H3.
What are the key properties of 4-(2-methyloctyl)morpholine?
4-(2-methyloctyl)morpholine has a molecular weight of 213.36 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloctyl)morpholine is sourced from PubChem (CID 15317280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).