bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride

C11H27Cl4N9O4Pt2 — CID 139137334

IUPACbis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride
SMILESC[N+](=O)[O-].[Cl-].[Cl-].[Cl-].[Cl-].[H]/N=C(/O/N=C(/C)N)N(C)C.[H]/N=C(/O/N=C(/C)N)N(C)C.[Pt+2].[Pt+2]
InChIInChI=1S/2C5H12N4O.CH3NO2.4ClH.2Pt/c2*1-4(6)8-10-5(7)9(2)3;1-2(3)4;;;;;;/h2*7H,1-3H3,(H2,6,8);1H3;4*1H;;/q;;;;;;;2*+2/p-4/b2*7-5+;;;;;;;
InChIKeyMFSHPSNLKWQXFI-RSBIGJIYSA-J
MW881.36 g/mol
LogP-12.51
Rot. Bonds2

About bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride

bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride (PubChem CID 139137334) has the molecular formula C11H27Cl4N9O4Pt2 and a molecular weight of 881.36 g/mol. Its IUPAC name is bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride.

Molecular Properties

Compound Namebis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride
PubChem CID139137334
Molecular FormulaC11H27Cl4N9O4Pt2
Molecular Weight881.36 g/mol
Exact Mass879.02
IUPAC Namebis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride
SMILESC[N+](=O)[O-].[Cl-].[Cl-].[Cl-].[Cl-].[H]/N=C(/O/N=C(/C)N)N(C)C.[H]/N=C(/O/N=C(/C)N)N(C)C.[Pt+2].[Pt+2]
InChIInChI=1S/2C5H12N4O.CH3NO2.4ClH.2Pt/c2*1-4(6)8-10-5(7)9(2)3;1-2(3)4;;;;;;/h2*7H,1-3H3,(H2,6,8);1H3;4*1H;;/q;;;;;;;2*+2/p-4/b2*7-5+;;;;;;;
InChIKeyMFSHPSNLKWQXFI-RSBIGJIYSA-J
XLogP-12.51
TPSA192.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500881.36
LogP ≤ 5-12.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dizinc;tetrakis([(Z)-1-aminopropylideneamino] N,N-dimethylcarbamimidate);tetrakis(trifluoromethanesulfonate)
CID 139177688
(propan-2-ylideneamino) N,N-diethylcarbamimidate
CID 12997851
3-carbamimidoyl-2-ethyl-1,1-dimethylguanidine;nitric acid
CID 176523622
N'-nitroethanimidamide
CID 90887679
1-nitroethanimine
CID 54158786
1-nitro-N-oxido-N-oxomethanimidamide
CID 54476770
ethyl N-cyano-N-nitrocarbamimidate
CID 57137260
(E)-3-(dimethylamino)but-2-enimidamide
CID 143341120
acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 24961549
calcium;carbamimidate;dichloride
CID 73456692
carbamimidate;palladium;dichloride
CID 102060497
[(Z)-1-aminoethylideneamino] methyl carbonate
CID 55283744

Frequently Asked Questions

What is the IUPAC name of bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride?
The IUPAC name of bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride (CID 139137334) is bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride.
What is the SMILES notation for bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride?
The canonical SMILES for bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride is C[N+](=O)[O-].[Cl-].[Cl-].[Cl-].[Cl-].[H]/N=C(/O/N=C(/C)N)N(C)C.[H]/N=C(/O/N=C(/C)N)N(C)C.[Pt+2].[Pt+2].
What is the InChIKey of bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride?
The InChIKey is MFSHPSNLKWQXFI-RSBIGJIYSA-J. The full InChI is InChI=1S/2C5H12N4O.CH3NO2.4ClH.2Pt/c2*1-4(6)8-10-5(7)9(2)3;1-2(3)4;;;;;;/h2*7H,1-3H3,(H2,6,8);1H3;4*1H;;/q;;;;;;;2*+2/p-4/b2*7-5+;;;;;;;.
What are the key properties of bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride?
bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride has a molecular weight of 881.36 g/mol, XLogP of -12.51, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(E)-1-aminoethylideneamino] N,N-dimethylcarbamimidate);nitromethane;bis(platinum(2+));tetrachloride is sourced from PubChem (CID 139137334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).