ethane;ethene;N-ethylcyclohexanamine;yttrium

C14H32NY- — CID 166469319

IUPACethane;ethene;N-ethylcyclohexanamine;yttrium
SMILESC=C.CC.CC.CCNC1[CH-]CCCC1.[Y]
InChIInChI=1S/C8H16N.2C2H6.C2H4.Y/c1-2-9-8-6-4-3-5-7-8;3*1-2;/h6,8-9H,2-5,7H2,1H3;2*1-2H3;1-2H2;/q-1;;;;
InChIKeyJIBFRDBAFUAZLT-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.59
Rot. Bonds2

About ethane;ethene;N-ethylcyclohexanamine;yttrium

ethane;ethene;N-ethylcyclohexanamine;yttrium (PubChem CID 166469319) has the molecular formula C14H32NY- and a molecular weight of 303.32 g/mol. Its IUPAC name is ethane;ethene;N-ethylcyclohexanamine;yttrium.

Molecular Properties

Compound Nameethane;ethene;N-ethylcyclohexanamine;yttrium
PubChem CID166469319
Molecular FormulaC14H32NY-
Molecular Weight303.32 g/mol
Exact Mass303.16
IUPAC Nameethane;ethene;N-ethylcyclohexanamine;yttrium
SMILESC=C.CC.CC.CCNC1[CH-]CCCC1.[Y]
InChIInChI=1S/C8H16N.2C2H6.C2H4.Y/c1-2-9-8-6-4-3-5-7-8;3*1-2;/h6,8-9H,2-5,7H2,1H3;2*1-2H3;1-2H2;/q-1;;;;
InChIKeyJIBFRDBAFUAZLT-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethylcyclohexanamine
CID 144865505
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
N-ethylcyclopentanamine;methanol
CID 161343027
N-ethylcyclohexanamine;hydroxylamine
CID 142330095
carbanide;ethane;methanidylcyclohexane;2-methylpropane;tungsten(2+);yttrium
CID 159854963
carbanide;methylcyclohexane;yttrium
CID 169059199
cyclohexanamine;N-ethylcyclohexanamine
CID 22649726
acetic acid;N-ethylcyclohexanamine
CID 66685670
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N-ethylcyclohexanamine;yttrium?
The IUPAC name of ethane;ethene;N-ethylcyclohexanamine;yttrium (CID 166469319) is ethane;ethene;N-ethylcyclohexanamine;yttrium.
What is the SMILES notation for ethane;ethene;N-ethylcyclohexanamine;yttrium?
The canonical SMILES for ethane;ethene;N-ethylcyclohexanamine;yttrium is C=C.CC.CC.CCNC1[CH-]CCCC1.[Y].
What is the InChIKey of ethane;ethene;N-ethylcyclohexanamine;yttrium?
The InChIKey is JIBFRDBAFUAZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N.2C2H6.C2H4.Y/c1-2-9-8-6-4-3-5-7-8;3*1-2;/h6,8-9H,2-5,7H2,1H3;2*1-2H3;1-2H2;/q-1;;;;.
What are the key properties of ethane;ethene;N-ethylcyclohexanamine;yttrium?
ethane;ethene;N-ethylcyclohexanamine;yttrium has a molecular weight of 303.32 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N-ethylcyclohexanamine;yttrium is sourced from PubChem (CID 166469319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).