ethane;N-ethylbutan-1-amine;yttrium

C8H19NY-2 — CID 59996065

IUPACethane;N-ethylbutan-1-amine;yttrium
SMILES[CH2-]C.[CH2-]CNCCCC.[Y]
InChIInChI=1S/C6H14N.C2H5.Y/c1-3-5-6-7-4-2;1-2;/h7H,2-6H2,1H3;1H2,2H3;/q2*-1;
InChIKeyNREYUMUPMMOYAN-UHFFFAOYSA-N
MW218.15 g/mol
LogP2.05
Rot. Bonds4

About ethane;N-ethylbutan-1-amine;yttrium

ethane;N-ethylbutan-1-amine;yttrium (PubChem CID 59996065) has the molecular formula C8H19NY-2 and a molecular weight of 218.15 g/mol. Its IUPAC name is ethane;N-ethylbutan-1-amine;yttrium.

Molecular Properties

Compound Nameethane;N-ethylbutan-1-amine;yttrium
PubChem CID59996065
Molecular FormulaC8H19NY-2
Molecular Weight218.15 g/mol
Exact Mass218.06
IUPAC Nameethane;N-ethylbutan-1-amine;yttrium
SMILES[CH2-]C.[CH2-]CNCCCC.[Y]
InChIInChI=1S/C6H14N.C2H5.Y/c1-3-5-6-7-4-2;1-2;/h7H,2-6H2,1H3;1H2,2H3;/q2*-1;
InChIKeyNREYUMUPMMOYAN-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butylbutan-1-amine;hydrochloride
CID 3083954
potassium;N-butylbutan-1-amine;hydride
CID 174461538
N-butyltetradecan-1-amine
CID 3548872
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N-butylbutan-1-amine;propan-1-ol
CID 174657089
N-(silylmethyl)butan-1-amine
CID 123797208
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
sulfanium;N-decyldecan-1-amine;chloride
CID 158756952
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;hydrochloride
CID 520044

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylbutan-1-amine;yttrium?
The IUPAC name of ethane;N-ethylbutan-1-amine;yttrium (CID 59996065) is ethane;N-ethylbutan-1-amine;yttrium.
What is the SMILES notation for ethane;N-ethylbutan-1-amine;yttrium?
The canonical SMILES for ethane;N-ethylbutan-1-amine;yttrium is [CH2-]C.[CH2-]CNCCCC.[Y].
What is the InChIKey of ethane;N-ethylbutan-1-amine;yttrium?
The InChIKey is NREYUMUPMMOYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.C2H5.Y/c1-3-5-6-7-4-2;1-2;/h7H,2-6H2,1H3;1H2,2H3;/q2*-1;.
What are the key properties of ethane;N-ethylbutan-1-amine;yttrium?
ethane;N-ethylbutan-1-amine;yttrium has a molecular weight of 218.15 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylbutan-1-amine;yttrium is sourced from PubChem (CID 59996065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).