ethane;(morpholin-3-ylmethylamino)methanone;yttrium

C8H17N2O2Y- — CID 153398938

IUPACethane;(morpholin-3-ylmethylamino)methanone;yttrium
SMILESCC.O=[C-]NCC1COCCN1.[Y]
InChIInChI=1S/C6H11N2O2.C2H6.Y/c9-5-7-3-6-4-10-2-1-8-6;1-2;/h6,8H,1-4H2,(H,7,9);1-2H3;/q-1;;
InChIKeyCGSMYSUKOFVHDF-UHFFFAOYSA-N
MW262.14 g/mol
LogP-0.34
Rot. Bonds3

About ethane;(morpholin-3-ylmethylamino)methanone;yttrium

ethane;(morpholin-3-ylmethylamino)methanone;yttrium (PubChem CID 153398938) has the molecular formula C8H17N2O2Y- and a molecular weight of 262.14 g/mol. Its IUPAC name is ethane;(morpholin-3-ylmethylamino)methanone;yttrium.

Molecular Properties

Compound Nameethane;(morpholin-3-ylmethylamino)methanone;yttrium
PubChem CID153398938
Molecular FormulaC8H17N2O2Y-
Molecular Weight262.14 g/mol
Exact Mass262.04
IUPAC Nameethane;(morpholin-3-ylmethylamino)methanone;yttrium
SMILESCC.O=[C-]NCC1COCCN1.[Y]
InChIInChI=1S/C6H11N2O2.C2H6.Y/c9-5-7-3-6-4-10-2-1-8-6;1-2;/h6,8H,1-4H2,(H,7,9);1-2H3;/q-1;;
InChIKeyCGSMYSUKOFVHDF-UHFFFAOYSA-N
XLogP-0.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze ethane;(morpholin-3-ylmethylamino)methanone;yttrium 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-methyl-N-[[(3S)-morpholin-3-yl]methyl]propanamide
CID 166764726
1-ethyl-3-(morpholin-3-ylmethyl)urea
CID 103548754
ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine
CID 142596245
morpholin-3-ylmethylurea
CID 103548775
3-(bromomethyl)morpholine
CID 70577689
2,2,3,3-tetramethyl-N-(morpholin-3-ylmethyl)cyclopropane-1-carboxamide
CID 103548670
2-methyl-N-(morpholin-3-ylmethyl)cyclopropane-1-carboxamide
CID 103548262
1,1-difluoro-N-(morpholin-3-ylmethyl)methanesulfonamide
CID 103548837
3-(ethylsulfonylmethyl)morpholine
CID 84720172
N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
CID 66723590
1-cyclobutyl-N-(morpholin-3-ylmethyl)methanamine
CID 115238071
1-cyclopentyl-N-(morpholin-3-ylmethyl)methanamine
CID 115238062

Frequently Asked Questions

What is the IUPAC name of ethane;(morpholin-3-ylmethylamino)methanone;yttrium?
The IUPAC name of ethane;(morpholin-3-ylmethylamino)methanone;yttrium (CID 153398938) is ethane;(morpholin-3-ylmethylamino)methanone;yttrium.
What is the SMILES notation for ethane;(morpholin-3-ylmethylamino)methanone;yttrium?
The canonical SMILES for ethane;(morpholin-3-ylmethylamino)methanone;yttrium is CC.O=[C-]NCC1COCCN1.[Y].
What is the InChIKey of ethane;(morpholin-3-ylmethylamino)methanone;yttrium?
The InChIKey is CGSMYSUKOFVHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O2.C2H6.Y/c9-5-7-3-6-4-10-2-1-8-6;1-2;/h6,8H,1-4H2,(H,7,9);1-2H3;/q-1;;.
What are the key properties of ethane;(morpholin-3-ylmethylamino)methanone;yttrium?
ethane;(morpholin-3-ylmethylamino)methanone;yttrium has a molecular weight of 262.14 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(morpholin-3-ylmethylamino)methanone;yttrium is sourced from PubChem (CID 153398938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).