3,4-di(tridecyl)morpholine

C30H61NO — CID 172742724

IUPAC3,4-di(tridecyl)morpholine
SMILESCCCCCCCCCCCCCC1COCCN1CCCCCCCCCCCCC
InChIInChI=1S/C30H61NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-29-32-28-27-31(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3
InChIKeyJHTZDDBRAWMUJP-UHFFFAOYSA-N
MW451.82 g/mol
LogP9.70
Rot. Bonds24

About 3,4-di(tridecyl)morpholine

3,4-di(tridecyl)morpholine (PubChem CID 172742724) has the molecular formula C30H61NO and a molecular weight of 451.82 g/mol. Its IUPAC name is 3,4-di(tridecyl)morpholine.

Molecular Properties

Compound Name3,4-di(tridecyl)morpholine
PubChem CID172742724
Molecular FormulaC30H61NO
Molecular Weight451.82 g/mol
Exact Mass451.48
IUPAC Name3,4-di(tridecyl)morpholine
SMILESCCCCCCCCCCCCCC1COCCN1CCCCCCCCCCCCC
InChIInChI=1S/C30H61NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-29-32-28-27-31(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3
InChIKeyJHTZDDBRAWMUJP-UHFFFAOYSA-N
XLogP9.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.82
LogP ≤ 59.70
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

N-methyl-1-(4-octylmorpholin-3-yl)methanamine
CID 83099737
3-(4-butylmorpholin-3-yl)propanoic acid
CID 117009382
N-[(4-nonylmorpholin-3-yl)methyl]propan-2-amine
CID 83100021
4-hydroxy-3-octylmorpholine
CID 172784874
4-(9-bromononyl)-3-ethylmorpholine
CID 105343626
4-propyl-3-(4-propylheptyl)morpholine
CID 70282386
N-[(4-butylmorpholin-3-yl)methyl]ethanamine
CID 83100321
3-butyl-4-prop-2-enylmorpholine
CID 175912707
3-ethyl-4-hexadecylmorpholine;ethyl hydrogen sulfate
CID 158591887
trimethoxy-[3-(4-propylmorpholin-3-yl)propyl]silane
CID 152610920
4-hexylmorpholine-3-carboxamide
CID 174697838
2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride
CID 76961508

Frequently Asked Questions

What is the IUPAC name of 3,4-di(tridecyl)morpholine?
The IUPAC name of 3,4-di(tridecyl)morpholine (CID 172742724) is 3,4-di(tridecyl)morpholine.
What is the SMILES notation for 3,4-di(tridecyl)morpholine?
The canonical SMILES for 3,4-di(tridecyl)morpholine is CCCCCCCCCCCCCC1COCCN1CCCCCCCCCCCCC.
What is the InChIKey of 3,4-di(tridecyl)morpholine?
The InChIKey is JHTZDDBRAWMUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-29-32-28-27-31(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3.
What are the key properties of 3,4-di(tridecyl)morpholine?
3,4-di(tridecyl)morpholine has a molecular weight of 451.82 g/mol, XLogP of 9.70, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(tridecyl)morpholine is sourced from PubChem (CID 172742724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).