ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine

C21H52N2Pt — CID 161491472

IUPACethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine
SMILESC.C.C.C.CC.CC.CC.CC.[H]/[C-]=C/C=N/CCC/N=C/C=[C-]/[H].[Pt+2]
InChIInChI=1S/C9H12N2.4C2H6.4CH4.Pt/c1-3-6-10-8-5-9-11-7-4-2;4*1-2;;;;;/h1-4,6-7H,5,8-9H2;4*1-2H3;4*1H4;/q-2;;;;;;;;;+2/b10-6+,11-7+;;;;;;;;;
InChIKeyBKRGPZAEHREYDP-KRBTWIEWSA-N
MW527.74 g/mol
LogP8.14
Rot. Bonds6

About ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine

ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine (PubChem CID 161491472) has the molecular formula C21H52N2Pt and a molecular weight of 527.74 g/mol. Its IUPAC name is ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine.

Molecular Properties

Compound Nameethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine
PubChem CID161491472
Molecular FormulaC21H52N2Pt
Molecular Weight527.74 g/mol
Exact Mass527.38
IUPAC Nameethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine
SMILESC.C.C.C.CC.CC.CC.CC.[H]/[C-]=C/C=N/CCC/N=C/C=[C-]/[H].[Pt+2]
InChIInChI=1S/C9H12N2.4C2H6.4CH4.Pt/c1-3-6-10-8-5-9-11-7-4-2;4*1-2;;;;;/h1-4,6-7H,5,8-9H2;4*1-2H3;4*1H4;/q-2;;;;;;;;;+2/b10-6+,11-7+;;;;;;;;;
InChIKeyBKRGPZAEHREYDP-KRBTWIEWSA-N
XLogP8.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.74
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine?
The IUPAC name of ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine (CID 161491472) is ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine.
What is the SMILES notation for ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine?
The canonical SMILES for ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine is C.C.C.C.CC.CC.CC.CC.[H]/[C-]=C/C=N/CCC/N=C/C=[C-]/[H].[Pt+2].
What is the InChIKey of ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine?
The InChIKey is BKRGPZAEHREYDP-KRBTWIEWSA-N. The full InChI is InChI=1S/C9H12N2.4C2H6.4CH4.Pt/c1-3-6-10-8-5-9-11-7-4-2;4*1-2;;;;;/h1-4,6-7H,5,8-9H2;4*1-2H3;4*1H4;/q-2;;;;;;;;;+2/b10-6+,11-7+;;;;;;;;;.
What are the key properties of ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine?
ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine has a molecular weight of 527.74 g/mol, XLogP of 8.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;platinum(2+);N-[3-(prop-2-enylideneamino)propyl]prop-2-en-1-imine is sourced from PubChem (CID 161491472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).