(5-methyl-4-octylmorpholin-2-yl)methanamine

C14H30N2O — CID 81217426

IUPAC(5-methyl-4-octylmorpholin-2-yl)methanamine
SMILESCCCCCCCCN1CC(CN)OCC1C
InChIInChI=1S/C14H30N2O/c1-3-4-5-6-7-8-9-16-11-14(10-15)17-12-13(16)2/h13-14H,3-12,15H2,1-2H3
InChIKeyXMAHDHXDKFJGQG-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.39
Rot. Bonds8

About (5-methyl-4-octylmorpholin-2-yl)methanamine

(5-methyl-4-octylmorpholin-2-yl)methanamine (PubChem CID 81217426) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (5-methyl-4-octylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-4-octylmorpholin-2-yl)methanamine
PubChem CID81217426
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(5-methyl-4-octylmorpholin-2-yl)methanamine
SMILESCCCCCCCCN1CC(CN)OCC1C
InChIInChI=1S/C14H30N2O/c1-3-4-5-6-7-8-9-16-11-14(10-15)17-12-13(16)2/h13-14H,3-12,15H2,1-2H3
InChIKeyXMAHDHXDKFJGQG-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5-methyl-4-octylmorpholin-2-yl)methanamine?
The IUPAC name of (5-methyl-4-octylmorpholin-2-yl)methanamine (CID 81217426) is (5-methyl-4-octylmorpholin-2-yl)methanamine.
What is the SMILES notation for (5-methyl-4-octylmorpholin-2-yl)methanamine?
The canonical SMILES for (5-methyl-4-octylmorpholin-2-yl)methanamine is CCCCCCCCN1CC(CN)OCC1C.
What is the InChIKey of (5-methyl-4-octylmorpholin-2-yl)methanamine?
The InChIKey is XMAHDHXDKFJGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-4-5-6-7-8-9-16-11-14(10-15)17-12-13(16)2/h13-14H,3-12,15H2,1-2H3.
What are the key properties of (5-methyl-4-octylmorpholin-2-yl)methanamine?
(5-methyl-4-octylmorpholin-2-yl)methanamine has a molecular weight of 242.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-octylmorpholin-2-yl)methanamine is sourced from PubChem (CID 81217426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).