2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine)

C24H52N4O3Pt+4 — CID 54591000

IUPAC2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine)
SMILESCC(C)CN[C@@H]1CCCC[C@H]1N.CC(C)CN[C@@H]1CCCC[C@H]1N.CCOCC(=O)O.[Pt+4]
InChIInChI=1S/2C10H22N2.C4H8O3.Pt/c2*1-8(2)7-12-10-6-4-3-5-9(10)11;1-2-7-3-4(5)6;/h2*8-10,12H,3-7,11H2,1-2H3;2-3H2,1H3,(H,5,6);/q;;;+4/t2*9-,10-;;/m11../s1
InChIKeyFYQKBPKDJZDDQS-RADMQMHOSA-N
MW639.78 g/mol
LogP3.11
Rot. Bonds9

About 2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine)

2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine) (PubChem CID 54591000) has the molecular formula C24H52N4O3Pt+4 and a molecular weight of 639.78 g/mol. Its IUPAC name is 2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine).

Molecular Properties

Compound Name2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine)
PubChem CID54591000
Molecular FormulaC24H52N4O3Pt+4
Molecular Weight639.78 g/mol
Exact Mass639.37
IUPAC Name2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine)
SMILESCC(C)CN[C@@H]1CCCC[C@H]1N.CC(C)CN[C@@H]1CCCC[C@H]1N.CCOCC(=O)O.[Pt+4]
InChIInChI=1S/2C10H22N2.C4H8O3.Pt/c2*1-8(2)7-12-10-6-4-3-5-9(10)11;1-2-7-3-4(5)6;/h2*8-10,12H,3-7,11H2,1-2H3;2-3H2,1H3,(H,5,6);/q;;;+4/t2*9-,10-;;/m11../s1
InChIKeyFYQKBPKDJZDDQS-RADMQMHOSA-N
XLogP3.11
TPSA122.63 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.78
LogP ≤ 53.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine) with MolForge

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Related Compounds

trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine
CID 69355597
N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide
CID 103805745
2-ethoxyacetic acid
CID 159744705
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727
2-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenolate;2-ethoxyacetate;platinum(2+)
CID 53348953
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574
carbonic acid;2-ethoxyacetic acid
CID 174869478
1-N-ethylcyclononane-1,2-diamine
CID 123480411
bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid
CID 54754171
ethyl N-(2-aminocyclopentyl)carbamate
CID 63251751
N-(2-aminocyclohexyl)propanamide
CID 61036997
N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide
CID 103805761

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine)?
The IUPAC name of 2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine) (CID 54591000) is 2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine).
What is the SMILES notation for 2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine)?
The canonical SMILES for 2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine) is CC(C)CN[C@@H]1CCCC[C@H]1N.CC(C)CN[C@@H]1CCCC[C@H]1N.CCOCC(=O)O.[Pt+4].
What is the InChIKey of 2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine)?
The InChIKey is FYQKBPKDJZDDQS-RADMQMHOSA-N. The full InChI is InChI=1S/2C10H22N2.C4H8O3.Pt/c2*1-8(2)7-12-10-6-4-3-5-9(10)11;1-2-7-3-4(5)6;/h2*8-10,12H,3-7,11H2,1-2H3;2-3H2,1H3,(H,5,6);/q;;;+4/t2*9-,10-;;/m11../s1.
What are the key properties of 2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine)?
2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine) has a molecular weight of 639.78 g/mol, XLogP of 3.11, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine) is sourced from PubChem (CID 54591000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).