N-(1-morpholin-2-ylpropyl)octadecan-1-amine

C25H52N2O — CID 174448708

IUPACN-(1-morpholin-2-ylpropyl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNC(CC)C1CNCCO1
InChIInChI=1S/C25H52N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-24(4-2)25-23-26-21-22-28-25/h24-27H,3-23H2,1-2H3
InChIKeyCJUJDIPRFAISJO-UHFFFAOYSA-N
MW396.70 g/mol
LogP6.60
Rot. Bonds20

About N-(1-morpholin-2-ylpropyl)octadecan-1-amine

N-(1-morpholin-2-ylpropyl)octadecan-1-amine (PubChem CID 174448708) has the molecular formula C25H52N2O and a molecular weight of 396.70 g/mol. Its IUPAC name is N-(1-morpholin-2-ylpropyl)octadecan-1-amine.

Molecular Properties

Compound NameN-(1-morpholin-2-ylpropyl)octadecan-1-amine
PubChem CID174448708
Molecular FormulaC25H52N2O
Molecular Weight396.70 g/mol
Exact Mass396.41
IUPAC NameN-(1-morpholin-2-ylpropyl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNC(CC)C1CNCCO1
InChIInChI=1S/C25H52N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-24(4-2)25-23-26-21-22-28-25/h24-27H,3-23H2,1-2H3
InChIKeyCJUJDIPRFAISJO-UHFFFAOYSA-N
XLogP6.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-morpholin-2-ylbutan-1-amine
CID 116956402
N-(1-morpholin-2-ylpropyl)acetamide
CID 121284793
N-[1-(4-oxidomorpholin-4-ium-2-yl)propyl]pentan-1-amine
CID 87111461
(2R)-2-[(2S)-butan-2-yl]morpholine
CID 57122298
N-octylmorpholine-2-carboxamide
CID 115567943
(2R)-2-dodecylmorpholine
CID 129384651
2-heptylmorpholine
CID 65122133
1-morpholin-2-ylethyl decanoate
CID 174600549
2-hexadecylmorpholine;hydrobromide
CID 174842760
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
azane;2-decylmorpholine;hydroiodide
CID 174921054
N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]tetradecan-1-amine
CID 141405749

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-2-ylpropyl)octadecan-1-amine?
The IUPAC name of N-(1-morpholin-2-ylpropyl)octadecan-1-amine (CID 174448708) is N-(1-morpholin-2-ylpropyl)octadecan-1-amine.
What is the SMILES notation for N-(1-morpholin-2-ylpropyl)octadecan-1-amine?
The canonical SMILES for N-(1-morpholin-2-ylpropyl)octadecan-1-amine is CCCCCCCCCCCCCCCCCCNC(CC)C1CNCCO1.
What is the InChIKey of N-(1-morpholin-2-ylpropyl)octadecan-1-amine?
The InChIKey is CJUJDIPRFAISJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-24(4-2)25-23-26-21-22-28-25/h24-27H,3-23H2,1-2H3.
What are the key properties of N-(1-morpholin-2-ylpropyl)octadecan-1-amine?
N-(1-morpholin-2-ylpropyl)octadecan-1-amine has a molecular weight of 396.70 g/mol, XLogP of 6.60, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-2-ylpropyl)octadecan-1-amine is sourced from PubChem (CID 174448708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).