4-hexylmorpholine

C10H21NO — CID 3614751

IUPAC4-hexylmorpholine
SMILESCCCCCCN1CCOCC1
InChIInChI=1S/C10H21NO/c1-2-3-4-5-6-11-7-9-12-10-8-11/h2-10H2,1H3
InChIKeyDWHLWJHNQZWFBA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds5

About 4-hexylmorpholine

4-hexylmorpholine (PubChem CID 3614751) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-hexylmorpholine.

Molecular Properties

Compound Name4-hexylmorpholine
PubChem CID3614751
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-hexylmorpholine
SMILESCCCCCCN1CCOCC1
InChIInChI=1S/C10H21NO/c1-2-3-4-5-6-11-7-9-12-10-8-11/h2-10H2,1H3
InChIKeyDWHLWJHNQZWFBA-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
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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Related Compounds

4-hexyl-1,4-oxazepane
CID 166849903
butane;4-butylmorpholine
CID 177152600
18-morpholin-4-yloctadecan-7-ol
CID 154324774
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4-(2-hexoxyethyl)morpholine
CID 3326674
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
5-morpholin-4-yl-N-propylpentan-1-amine
CID 62437718
4-(4-methylnonyl)morpholine
CID 170444016
4-butylmorpholine;N,N-dimethylformamide
CID 178173228
4-propylmorpholine;hydrobromide
CID 70540609

Frequently Asked Questions

What is the IUPAC name of 4-hexylmorpholine?
The IUPAC name of 4-hexylmorpholine (CID 3614751) is 4-hexylmorpholine.
What is the SMILES notation for 4-hexylmorpholine?
The canonical SMILES for 4-hexylmorpholine is CCCCCCN1CCOCC1.
What is the InChIKey of 4-hexylmorpholine?
The InChIKey is DWHLWJHNQZWFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-4-5-6-11-7-9-12-10-8-11/h2-10H2,1H3.
What are the key properties of 4-hexylmorpholine?
4-hexylmorpholine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexylmorpholine is sourced from PubChem (CID 3614751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).