2,2,6-trimethyl-6-pentylmorpholine

C12H25NO — CID 80558946

IUPAC2,2,6-trimethyl-6-pentylmorpholine
SMILESCCCCCC1(C)CNCC(C)(C)O1
InChIInChI=1S/C12H25NO/c1-5-6-7-8-12(4)10-13-9-11(2,3)14-12/h13H,5-10H2,1-4H3
InChIKeyIENHQBOOPYQMBH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds4

About 2,2,6-trimethyl-6-pentylmorpholine

2,2,6-trimethyl-6-pentylmorpholine (PubChem CID 80558946) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,2,6-trimethyl-6-pentylmorpholine.

Molecular Properties

Compound Name2,2,6-trimethyl-6-pentylmorpholine
PubChem CID80558946
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,2,6-trimethyl-6-pentylmorpholine
SMILESCCCCCC1(C)CNCC(C)(C)O1
InChIInChI=1S/C12H25NO/c1-5-6-7-8-12(4)10-13-9-11(2,3)14-12/h13H,5-10H2,1-4H3
InChIKeyIENHQBOOPYQMBH-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2,6-trimethyl-6-pentylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine
CID 114497556
ethane;2-ethyl-2,6,6-trimethylmorpholine
CID 143725560
2-dodecyl-2-methylmorpholine;hydrobromide
CID 173402578
2-dodecyl-2,6,6-trimethyloxane
CID 134843954
6-ethyl-2-methyl-2-pentylmorpholine
CID 80558910
2-methyl-2-pentyloxirane
CID 559073
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-heptyl-2,3,3-trimethyloxirane
CID 19373807
3-decyl-3-ethylazetidine
CID 79451957
2-benzyl-2,6,6-trimethylmorpholine
CID 65126692

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-6-pentylmorpholine?
The IUPAC name of 2,2,6-trimethyl-6-pentylmorpholine (CID 80558946) is 2,2,6-trimethyl-6-pentylmorpholine.
What is the SMILES notation for 2,2,6-trimethyl-6-pentylmorpholine?
The canonical SMILES for 2,2,6-trimethyl-6-pentylmorpholine is CCCCCC1(C)CNCC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-6-pentylmorpholine?
The InChIKey is IENHQBOOPYQMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-7-8-12(4)10-13-9-11(2,3)14-12/h13H,5-10H2,1-4H3.
What are the key properties of 2,2,6-trimethyl-6-pentylmorpholine?
2,2,6-trimethyl-6-pentylmorpholine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6-pentylmorpholine is sourced from PubChem (CID 80558946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).