1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine

C24H50N2O — CID 174791741

IUPAC1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine
SMILESCCCCCCCCCCCCCCCCC(C)C1(C(C)N)CNCCO1
InChIInChI=1S/C24H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)24(23(3)25)21-26-19-20-27-24/h22-23,26H,4-21,25H2,1-3H3
InChIKeyCVYTZYRBSZILRW-UHFFFAOYSA-N
MW382.68 g/mol
LogP6.20
Rot. Bonds17

About 1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine

1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine (PubChem CID 174791741) has the molecular formula C24H50N2O and a molecular weight of 382.68 g/mol. Its IUPAC name is 1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine
PubChem CID174791741
Molecular FormulaC24H50N2O
Molecular Weight382.68 g/mol
Exact Mass382.39
IUPAC Name1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine
SMILESCCCCCCCCCCCCCCCCC(C)C1(C(C)N)CNCCO1
InChIInChI=1S/C24H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)24(23(3)25)21-26-19-20-27-24/h22-23,26H,4-21,25H2,1-3H3
InChIKeyCVYTZYRBSZILRW-UHFFFAOYSA-N
XLogP6.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine 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-dodecyl-2-methylmorpholine;hydrobromide
CID 173402578
2,2-didodecylmorpholine;hydrofluoride
CID 173000581
1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide
CID 173370382
1-(2-pentylmorpholin-2-yl)propan-1-amine
CID 174330339
azane;2-bromo-2-octylmorpholine
CID 174988461
2-ethyl-2-octylmorpholine;hydrate;hydrochloride
CID 67566490
2-bromotridecane;morpholine
CID 70520110
2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
CID 142640587
(2S)-nonadecan-2-amine
CID 94864909
(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
N-[(3-methylpiperidin-3-yl)methyl]heptan-2-amine
CID 63133078

Frequently Asked Questions

What is the IUPAC name of 1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine?
The IUPAC name of 1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine (CID 174791741) is 1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine?
The canonical SMILES for 1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine is CCCCCCCCCCCCCCCCC(C)C1(C(C)N)CNCCO1.
What is the InChIKey of 1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine?
The InChIKey is CVYTZYRBSZILRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)24(23(3)25)21-26-19-20-27-24/h22-23,26H,4-21,25H2,1-3H3.
What are the key properties of 1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine?
1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine has a molecular weight of 382.68 g/mol, XLogP of 6.20, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 174791741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).