1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)

C23H41Y+2 — CID 20743094

IUPAC1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)
SMILES[CH2-]C1CCC(CC2CCC(CC3CCC(CC)CC3)CC2)CC1.[Y+3]
InChIInChI=1S/C23H41.Y/c1-3-19-8-10-21(11-9-19)17-23-14-12-22(13-15-23)16-20-6-4-18(2)5-7-20;/h18-23H,2-17H2,1H3;/q-1;+3
InChIKeySXKDLNPDTKQZQJ-UHFFFAOYSA-N
MW406.49 g/mol
LogP7.43
Rot. Bonds5

About 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)

1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+) (PubChem CID 20743094) has the molecular formula C23H41Y+2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+).

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)
PubChem CID20743094
Molecular FormulaC23H41Y+2
Molecular Weight406.49 g/mol
Exact Mass406.23
IUPAC Name1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)
SMILES[CH2-]C1CCC(CC2CCC(CC3CCC(CC)CC3)CC2)CC1.[Y+3]
InChIInChI=1S/C23H41.Y/c1-3-19-8-10-21(11-9-19)17-23-14-12-22(13-15-23)16-20-6-4-18(2)5-7-20;/h18-23H,2-17H2,1H3;/q-1;+3
InChIKeySXKDLNPDTKQZQJ-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)
CID 21015071
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium)
CID 59501817
ethanamine;ethylcyclopropane
CID 70018487
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine
CID 91593500
1-ethyl-3-methanidylcyclobutane
CID 90731604
1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
CID 147298392
1,3-diethylcyclopentane
CID 530396

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)?
The IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+) (CID 20743094) is 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+).
What is the SMILES notation for 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)?
The canonical SMILES for 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+) is [CH2-]C1CCC(CC2CCC(CC3CCC(CC)CC3)CC2)CC1.[Y+3].
What is the InChIKey of 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)?
The InChIKey is SXKDLNPDTKQZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41.Y/c1-3-19-8-10-21(11-9-19)17-23-14-12-22(13-15-23)16-20-6-4-18(2)5-7-20;/h18-23H,2-17H2,1H3;/q-1;+3.
What are the key properties of 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)?
1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+) has a molecular weight of 406.49 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+) is sourced from PubChem (CID 20743094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).