N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium)

C19H39N3O2Y2-4 — CID 59189533

IUPACN-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium)
SMILES[CH2-]CC(=O)NCCCCC(C)(C)C.[CH2-]CNC.[CH2-]CNC(=O)C[CH2-].[Y].[Y]
InChIInChI=1S/C11H22NO.C5H9NO.C3H8N.2Y/c1-5-10(13)12-9-7-6-8-11(2,3)4;1-3-5(7)6-4-2;1-3-4-2;;/h1,5-9H2,2-4H3,(H,12,13);1-4H2,(H,6,7);4H,1,3H2,2H3;;/q-1;-2;-1;;
InChIKeyCFVFLAYUDQQWGM-UHFFFAOYSA-N
MW519.35 g/mol
LogP2.74
Rot. Bonds8

About N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium)

N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium) (PubChem CID 59189533) has the molecular formula C19H39N3O2Y2-4 and a molecular weight of 519.35 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium).

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium)
PubChem CID59189533
Molecular FormulaC19H39N3O2Y2-4
Molecular Weight519.35 g/mol
Exact Mass519.12
IUPAC NameN-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium)
SMILES[CH2-]CC(=O)NCCCCC(C)(C)C.[CH2-]CNC.[CH2-]CNC(=O)C[CH2-].[Y].[Y]
InChIInChI=1S/C11H22NO.C5H9NO.C3H8N.2Y/c1-5-10(13)12-9-7-6-8-11(2,3)4;1-3-5(7)6-4-2;1-3-4-2;;/h1,5-9H2,2-4H3,(H,12,13);1-4H2,(H,6,7);4H,1,3H2,2H3;;/q-1;-2;-1;;
InChIKeyCFVFLAYUDQQWGM-UHFFFAOYSA-N
XLogP2.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.35
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(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

5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium)
CID 158855194
N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride
CID 119775744
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
3-amino-N-(5,5-dimethylhexyl)propanamide
CID 119318983
N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide
CID 119775757
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915
N-butyl-10,10-dimethylundecanamide
CID 19922141
1-(6,6-dimethylheptyl)-3-pentylurea
CID 143912834
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium)?
The IUPAC name of N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium) (CID 59189533) is N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium).
What is the SMILES notation for N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium)?
The canonical SMILES for N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium) is [CH2-]CC(=O)NCCCCC(C)(C)C.[CH2-]CNC.[CH2-]CNC(=O)C[CH2-].[Y].[Y].
What is the InChIKey of N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium)?
The InChIKey is CFVFLAYUDQQWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO.C5H9NO.C3H8N.2Y/c1-5-10(13)12-9-7-6-8-11(2,3)4;1-3-5(7)6-4-2;1-3-4-2;;/h1,5-9H2,2-4H3,(H,12,13);1-4H2,(H,6,7);4H,1,3H2,2H3;;/q-1;-2;-1;;.
What are the key properties of N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium)?
N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium) has a molecular weight of 519.35 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium) is sourced from PubChem (CID 59189533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).