[1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid)

C24H46Cl2N2O6Pt+2 — CID 140897485

IUPAC[1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid)
SMILESCC(C)(C)C(=O)CCC(=O)O.CC(C)(C)C(=O)CCC(=O)O.Cl[Pt+2]Cl.NCC1(CN)CCCCC1
InChIInChI=1S/C8H18N2.2C8H14O3.2ClH.Pt/c9-6-8(7-10)4-2-1-3-5-8;2*1-8(2,3)6(9)4-5-7(10)11;;;/h1-7,9-10H2;2*4-5H2,1-3H3,(H,10,11);2*1H;/q;;;;;+4/p-2
InChIKeyUYBGLRDVGOQFOA-UHFFFAOYSA-L
MW724.62 g/mol
LogP5.16
Rot. Bonds8

About [1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid)

[1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid) (PubChem CID 140897485) has the molecular formula C24H46Cl2N2O6Pt+2 and a molecular weight of 724.62 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid).

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid)
PubChem CID140897485
Molecular FormulaC24H46Cl2N2O6Pt+2
Molecular Weight724.62 g/mol
Exact Mass723.24
IUPAC Name[1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid)
SMILESCC(C)(C)C(=O)CCC(=O)O.CC(C)(C)C(=O)CCC(=O)O.Cl[Pt+2]Cl.NCC1(CN)CCCCC1
InChIInChI=1S/C8H18N2.2C8H14O3.2ClH.Pt/c9-6-8(7-10)4-2-1-3-5-8;2*1-8(2,3)6(9)4-5-7(10)11;;;/h1-7,9-10H2;2*4-5H2,1-3H3,(H,10,11);2*1H;/q;;;;;+4/p-2
InChIKeyUYBGLRDVGOQFOA-UHFFFAOYSA-L
XLogP5.16
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.62
LogP ≤ 55.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,8-dimethyl-4,7-dioxononanoic acid
CID 121218227
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol
CID 67588053
4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 112547674
2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 106147918
[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);dichloride
CID 10250859
butanedioic acid;cyclobutane
CID 157277656
hexanedioic acid;tris([1-(hydroxymethyl)cyclodecyl]methanol)
CID 175890022
17,17-dimethyl-16-oxooctadecanoic acid
CID 139546409
sodium;tetrakis(2-[1-(aminomethyl)cyclohexyl]acetic acid);hydride;sulfuric acid;hydrate
CID 173180921

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid)?
The IUPAC name of [1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid) (CID 140897485) is [1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid).
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid)?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid) is CC(C)(C)C(=O)CCC(=O)O.CC(C)(C)C(=O)CCC(=O)O.Cl[Pt+2]Cl.NCC1(CN)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid)?
The InChIKey is UYBGLRDVGOQFOA-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H18N2.2C8H14O3.2ClH.Pt/c9-6-8(7-10)4-2-1-3-5-8;2*1-8(2,3)6(9)4-5-7(10)11;;;/h1-7,9-10H2;2*4-5H2,1-3H3,(H,10,11);2*1H;/q;;;;;+4/p-2.
What are the key properties of [1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid)?
[1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid) has a molecular weight of 724.62 g/mol, XLogP of 5.16, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]methanamine;dichloroplatinum(2+);bis(5,5-dimethyl-4-oxohexanoic acid) is sourced from PubChem (CID 140897485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).