carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine

C27H66N3Pt3+3 — CID 161382891

About carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine

carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine (PubChem CID 161382891) has the molecular formula C27H66N3Pt3+3 and a molecular weight of 1018.08 g/mol. Its IUPAC name is carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine.

Molecular Properties

• Compound Name: carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine
• PubChem CID: 161382891
• Molecular Formula: C27H66N3Pt3+3
• Molecular Weight: 1018.08 g/mol
• Exact Mass: 1017.42
• IUPAC Name: carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine
• SMILES: C=CCCC=C.C=CCCN(C)C.CN(C)CCN(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Pt+4].[Pt+4].[Pt+4]
• InChI: InChI=1S/C6H16N2.C6H13N.C6H10.9CH3.3Pt/c1-7(2)5-6-8(3)4;1-4-5-6-7(2)3;1-3-5-6-4-2;;;;;;;;;;;;/h5-6H2,1-4H3;4H,1,5-6H2,2-3H3;3-4H,1-2,5-6H2;9*1H3;;;/q;;;9*-1;3*+4
• InChIKey: APYSKCSFBIPAKE-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1018.08
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine?

The IUPAC name of carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine (CID 161382891) is carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine.

What is the SMILES notation for carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine?

The canonical SMILES for carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine is C=CCCC=C.C=CCCN(C)C.CN(C)CCN(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Pt+4].[Pt+4].[Pt+4].

What is the InChIKey of carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine?

The InChIKey is APYSKCSFBIPAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C6H13N.C6H10.9CH3.3Pt/c1-7(2)5-6-8(3)4;1-4-5-6-7(2)3;1-3-5-6-4-2;;;;;;;;;;;;/h5-6H2,1-4H3;4H,1,5-6H2,2-3H3;3-4H,1-2,5-6H2;9*1H3;;;/q;;;9*-1;3*+4.

What are the key properties of carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine?

carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine has a molecular weight of 1018.08 g/mol, XLogP of 7.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine is sourced from PubChem (CID 161382891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).