2-heptylmorpholine

C11H23NO — CID 65122133

IUPAC2-heptylmorpholine
SMILESCCCCCCCC1CNCCO1
InChIInChI=1S/C11H23NO/c1-2-3-4-5-6-7-11-10-12-8-9-13-11/h11-12H,2-10H2,1H3
InChIKeyOEDJBBWSODWGQA-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.34
Rot. Bonds6

About 2-heptylmorpholine

2-heptylmorpholine (PubChem CID 65122133) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-heptylmorpholine.

Molecular Properties

Compound Name2-heptylmorpholine
PubChem CID65122133
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-heptylmorpholine
SMILESCCCCCCCC1CNCCO1
InChIInChI=1S/C11H23NO/c1-2-3-4-5-6-7-11-10-12-8-9-13-11/h11-12H,2-10H2,1H3
InChIKeyOEDJBBWSODWGQA-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-dodecylmorpholine
CID 129384651
2-hexadecylmorpholine;hydrobromide
CID 174842760
azane;2-decylmorpholine;hydroiodide
CID 174921054
2-(6-bromohexyl)morpholine
CID 175195484
4-morpholin-2-ylbutan-1-ol
CID 66968859
5-pentyl-1,3-oxazolidine
CID 67960435
2-methyloxirane;2-propylmorpholine
CID 175557051
3-[(2R)-morpholin-2-yl]propan-1-amine
CID 92954644
N-ethylethanamine;2-propylmorpholine
CID 20504824
chloro-dimethyl-(3-morpholin-2-ylpropyl)silane
CID 174707575
2-octadecyloxetane
CID 168986267
2-tetratetracontyloxirane
CID 102093754

Frequently Asked Questions

What is the IUPAC name of 2-heptylmorpholine?
The IUPAC name of 2-heptylmorpholine (CID 65122133) is 2-heptylmorpholine.
What is the SMILES notation for 2-heptylmorpholine?
The canonical SMILES for 2-heptylmorpholine is CCCCCCCC1CNCCO1.
What is the InChIKey of 2-heptylmorpholine?
The InChIKey is OEDJBBWSODWGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-4-5-6-7-11-10-12-8-9-13-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-heptylmorpholine?
2-heptylmorpholine has a molecular weight of 185.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptylmorpholine is sourced from PubChem (CID 65122133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).