5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium)

C26H56N4O2Y2-4 — CID 158855194

IUPAC5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium)
SMILESCC(C)(C)CCCCN.[CH2-]CC(=O)NCCCCC(C)(C)C.[CH2-]CN.[CH2-]CNC(=O)C[CH2-].[Y].[Y]
InChIInChI=1S/C11H22NO.C8H19N.C5H9NO.C2H6N.2Y/c1-5-10(13)12-9-7-6-8-11(2,3)4;1-8(2,3)6-4-5-7-9;1-3-5(7)6-4-2;1-2-3;;/h1,5-9H2,2-4H3,(H,12,13);4-7,9H2,1-3H3;1-4H2,(H,6,7);1-3H2;;/q-1;;-2;-1;;
InChIKeyUXVBJIIFWXNMSC-UHFFFAOYSA-N
MW634.57 g/mol
LogP4.64
Rot. Bonds10

About 5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium)

5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium) (PubChem CID 158855194) has the molecular formula C26H56N4O2Y2-4 and a molecular weight of 634.57 g/mol. Its IUPAC name is 5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium).

Molecular Properties

Compound Name5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium)
PubChem CID158855194
Molecular FormulaC26H56N4O2Y2-4
Molecular Weight634.57 g/mol
Exact Mass634.25
IUPAC Name5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium)
SMILESCC(C)(C)CCCCN.[CH2-]CC(=O)NCCCCC(C)(C)C.[CH2-]CN.[CH2-]CNC(=O)C[CH2-].[Y].[Y]
InChIInChI=1S/C11H22NO.C8H19N.C5H9NO.C2H6N.2Y/c1-5-10(13)12-9-7-6-8-11(2,3)4;1-8(2,3)6-4-5-7-9;1-3-5(7)6-4-2;1-2-3;;/h1,5-9H2,2-4H3,(H,12,13);4-7,9H2,1-3H3;1-4H2,(H,6,7);1-3H2;;/q-1;;-2;-1;;
InChIKeyUXVBJIIFWXNMSC-UHFFFAOYSA-N
XLogP4.64
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.57
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium) with MolForge

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Related Compounds

N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium)
CID 59189533
3-amino-N-(5,5-dimethylhexyl)propanamide
CID 119318983
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride
CID 119775744
18,18-dimethylnonadecan-1-amine
CID 53249240
5,5-dimethylhexan-1-amine;hydrochloride
CID 143616686
12,12-dimethyltridecan-1-amine
CID 87103604
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-(6-aminohexyl)-3-methoxy-3-methylbutanamide
CID 107843909
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium)?
The IUPAC name of 5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium) (CID 158855194) is 5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium).
What is the SMILES notation for 5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium)?
The canonical SMILES for 5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium) is CC(C)(C)CCCCN.[CH2-]CC(=O)NCCCCC(C)(C)C.[CH2-]CN.[CH2-]CNC(=O)C[CH2-].[Y].[Y].
What is the InChIKey of 5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium)?
The InChIKey is UXVBJIIFWXNMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO.C8H19N.C5H9NO.C2H6N.2Y/c1-5-10(13)12-9-7-6-8-11(2,3)4;1-8(2,3)6-4-5-7-9;1-3-5(7)6-4-2;1-2-3;;/h1,5-9H2,2-4H3,(H,12,13);4-7,9H2,1-3H3;1-4H2,(H,6,7);1-3H2;;/q-1;;-2;-1;;.
What are the key properties of 5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium)?
5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium) has a molecular weight of 634.57 g/mol, XLogP of 4.64, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhexan-1-amine;N-(5,5-dimethylhexyl)propanamide;ethanamine;N-ethylpropanamide;bis(yttrium) is sourced from PubChem (CID 158855194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).