[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate

C8H18N2O4PtS — CID 23725025

IUPAC[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate
SMILESNCC1(CN)CCCCC1.O=S(=O)([O-])[O-].[Pt+2]
InChIInChI=1S/C8H18N2.H2O4S.Pt/c9-6-8(7-10)4-2-1-3-5-8;1-5(2,3)4;/h1-7,9-10H2;(H2,1,2,3,4);/q;;+2/p-2
InChIKeyXASGSSXPZXRXFL-UHFFFAOYSA-L
MW433.39 g/mol
LogP-0.49
Rot. Bonds2

About [1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate

[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate (PubChem CID 23725025) has the molecular formula C8H18N2O4PtS and a molecular weight of 433.39 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate
PubChem CID23725025
Molecular FormulaC8H18N2O4PtS
Molecular Weight433.39 g/mol
Exact Mass433.06
IUPAC Name[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate
SMILESNCC1(CN)CCCCC1.O=S(=O)([O-])[O-].[Pt+2]
InChIInChI=1S/C8H18N2.H2O4S.Pt/c9-6-8(7-10)4-2-1-3-5-8;1-5(2,3)4;/h1-7,9-10H2;(H2,1,2,3,4);/q;;+2/p-2
InChIKeyXASGSSXPZXRXFL-UHFFFAOYSA-L
XLogP-0.49
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate?
The IUPAC name of [1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate (CID 23725025) is [1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate is NCC1(CN)CCCCC1.O=S(=O)([O-])[O-].[Pt+2].
What is the InChIKey of [1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate?
The InChIKey is XASGSSXPZXRXFL-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H18N2.H2O4S.Pt/c9-6-8(7-10)4-2-1-3-5-8;1-5(2,3)4;/h1-7,9-10H2;(H2,1,2,3,4);/q;;+2/p-2.
What are the key properties of [1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate?
[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate has a molecular weight of 433.39 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfate is sourced from PubChem (CID 23725025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).