hexan-1-imine;platinum(4+);dicarbonate

C8H13NO6Pt — CID 175704271

IUPAChexan-1-imine;platinum(4+);dicarbonate
SMILESO=C([O-])[O-].O=C([O-])[O-].[H]/N=C/CCCCC.[Pt+4]
InChIInChI=1S/C6H13N.2CH2O3.Pt/c1-2-3-4-5-6-7;2*2-1(3)4;/h6-7H,2-5H2,1H3;2*(H2,2,3,4);/q;;;+4/p-4/b7-6+;;;
InChIKeyRXLHRAQGJFQTDE-ZMVRRDJGSA-J
MW414.27 g/mol
LogP-2.68
Rot. Bonds4

About hexan-1-imine;platinum(4+);dicarbonate

hexan-1-imine;platinum(4+);dicarbonate (PubChem CID 175704271) has the molecular formula C8H13NO6Pt and a molecular weight of 414.27 g/mol. Its IUPAC name is hexan-1-imine;platinum(4+);dicarbonate.

Molecular Properties

Compound Namehexan-1-imine;platinum(4+);dicarbonate
PubChem CID175704271
Molecular FormulaC8H13NO6Pt
Molecular Weight414.27 g/mol
Exact Mass414.04
IUPAC Namehexan-1-imine;platinum(4+);dicarbonate
SMILESO=C([O-])[O-].O=C([O-])[O-].[H]/N=C/CCCCC.[Pt+4]
InChIInChI=1S/C6H13N.2CH2O3.Pt/c1-2-3-4-5-6-7;2*2-1(3)4;/h6-7H,2-5H2,1H3;2*(H2,2,3,4);/q;;;+4/p-4/b7-6+;;;
InChIKeyRXLHRAQGJFQTDE-ZMVRRDJGSA-J
XLogP-2.68
TPSA150.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.27
LogP ≤ 5-2.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

azane;hexan-1-imine
CID 158895938
hexan-1-imine;platinum;dihydrate
CID 175690790
bis(cobalt(3+));hexan-1-imine;trisulfate
CID 86757216
dichlorocopper;hexan-1-imine
CID 175941191
ethane;hexane;dicarbonate;hydrate
CID 18475207
12-iminododecanoic acid
CID 142632270
octylazanium;carbonate
CID 141329834
N-(3-iminopropyl)tetradecan-1-amine
CID 57007128
tris((Z)-icos-9-enoate);scandium(3+)
CID 175691845
butan-1-imine;prop-2-enamide
CID 175251221
octane-1,5-diimine
CID 129214712
neodymium(3+);tris(oct-2-enoate)
CID 158634826

Frequently Asked Questions

What is the IUPAC name of hexan-1-imine;platinum(4+);dicarbonate?
The IUPAC name of hexan-1-imine;platinum(4+);dicarbonate (CID 175704271) is hexan-1-imine;platinum(4+);dicarbonate.
What is the SMILES notation for hexan-1-imine;platinum(4+);dicarbonate?
The canonical SMILES for hexan-1-imine;platinum(4+);dicarbonate is O=C([O-])[O-].O=C([O-])[O-].[H]/N=C/CCCCC.[Pt+4].
What is the InChIKey of hexan-1-imine;platinum(4+);dicarbonate?
The InChIKey is RXLHRAQGJFQTDE-ZMVRRDJGSA-J. The full InChI is InChI=1S/C6H13N.2CH2O3.Pt/c1-2-3-4-5-6-7;2*2-1(3)4;/h6-7H,2-5H2,1H3;2*(H2,2,3,4);/q;;;+4/p-4/b7-6+;;;.
What are the key properties of hexan-1-imine;platinum(4+);dicarbonate?
hexan-1-imine;platinum(4+);dicarbonate has a molecular weight of 414.27 g/mol, XLogP of -2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-imine;platinum(4+);dicarbonate is sourced from PubChem (CID 175704271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).