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

C21H37Y+2 — CID 21015071

IUPAC1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)
SMILES[CH2-]C1CCC(CC2CCC(CC3CCCCC3)CC2)CC1.[Y+3]
InChIInChI=1S/C21H37.Y/c1-17-7-9-19(10-8-17)16-21-13-11-20(12-14-21)15-18-5-3-2-4-6-18;/h17-21H,1-16H2;/q-1;+3
InChIKeyKEUWIMAHBOERCN-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.79
Rot. Bonds4

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

1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+) (PubChem CID 21015071) has the molecular formula C21H37Y+2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+).

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)
PubChem CID21015071
Molecular FormulaC21H37Y+2
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)
SMILES[CH2-]C1CCC(CC2CCC(CC3CCCCC3)CC2)CC1.[Y+3]
InChIInChI=1S/C21H37.Y/c1-17-7-9-19(10-8-17)16-21-13-11-20(12-14-21)15-18-5-3-2-4-6-18;/h17-21H,1-16H2;/q-1;+3
InChIKeyKEUWIMAHBOERCN-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+) with MolForge

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Related Compounds

[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
cyclopentadecylmethylcyclopentadecane
CID 91804599
1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)
CID 20743094
carbanide;bis(cyclopentane);cyclopentylmethylcyclopentane;bis(iron(2+))
CID 162297269
1,4-bis(cyclohexylmethyl)cyclohexane;propane;hydrofluoride;hydroiodide
CID 169430609
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
1-chloro-4-(cyclohexylmethyl)cyclohexane
CID 67573435
1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+)
CID 20743099
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
CID 143182183
cyclohexylmethylcyclohexane;piperazine
CID 174648338
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)?
The IUPAC name of 1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+) (CID 21015071) is 1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+).
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+) is [CH2-]C1CCC(CC2CCC(CC3CCCCC3)CC2)CC1.[Y+3].
What is the InChIKey of 1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)?
The InChIKey is KEUWIMAHBOERCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37.Y/c1-17-7-9-19(10-8-17)16-21-13-11-20(12-14-21)15-18-5-3-2-4-6-18;/h17-21H,1-16H2;/q-1;+3.
What are the key properties of 1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)?
1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+) has a molecular weight of 378.43 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+) is sourced from PubChem (CID 21015071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).