N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+)

C27H36N6Pt — CID 59357101

IUPACN-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+)
SMILES[H]/N=C(/C=[C-]\Nc1cccc(C(C)(C)c2cccc(N/[C-]=C\C(=N\[H])C(C)(C)C)n2)n1)C(C)(C)C.[Pt+2]
InChIInChI=1S/C27H36N6.Pt/c1-25(2,3)19(28)15-17-30-23-13-9-11-21(32-23)27(7,8)22-12-10-14-24(33-22)31-18-16-20(29)26(4,5)6;/h9-16,28-29H,1-8H3,(H,30,32)(H,31,33);/q-2;+2/b28-19-,29-20-;
InChIKeyBPUNBRPOHFFANM-MUZCIKGXSA-N
MW639.71 g/mol
LogP6.39
Rot. Bonds8

About N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+)

N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+) (PubChem CID 59357101) has the molecular formula C27H36N6Pt and a molecular weight of 639.71 g/mol. Its IUPAC name is N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+).

Molecular Properties

Compound NameN-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+)
PubChem CID59357101
Molecular FormulaC27H36N6Pt
Molecular Weight639.71 g/mol
Exact Mass639.26
IUPAC NameN-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+)
SMILES[H]/N=C(/C=[C-]\Nc1cccc(C(C)(C)c2cccc(N/[C-]=C\C(=N\[H])C(C)(C)C)n2)n1)C(C)(C)C.[Pt+2]
InChIInChI=1S/C27H36N6.Pt/c1-25(2,3)19(28)15-17-30-23-13-9-11-21(32-23)27(7,8)22-12-10-14-24(33-22)31-18-16-20(29)26(4,5)6;/h9-16,28-29H,1-8H3,(H,30,32)(H,31,33);/q-2;+2/b28-19-,29-20-;
InChIKeyBPUNBRPOHFFANM-MUZCIKGXSA-N
XLogP6.39
TPSA97.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.71
LogP ≤ 56.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+) with MolForge

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Related Compounds

2-(4-tert-butyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-tert-butyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;N-[[[6-[2-[6-(2,2-dimethylpropanimidoyliminomethylamino)-2-pyridinyl]propan-2-yl]-2-pyridinyl]amino]methylidene]-2,2-dimethylpropanimidamide;N-(3-iminobut-1-enyl)-6-[2-[6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;pentakis(platinum(2+))
CID 159572351
4-(2,2-dimethylpropyl)-6-[2-[4-(2,2-dimethylpropyl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-2-pyridinyl]propan-2-yl]-N-(3-iminobut-1-enyl)pyridin-2-amine;platinum(2+)
CID 58161815
2-[2-[6-(methylamino)-2-pyridinyl]propan-2-yl]phenol;osmium
CID 58106959
CID 159712828
CID 159712828
1-(3-tert-butylphenyl)ethanimine
CID 175635201
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)
CID 54687240
1,2,2-trimethyl-5-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 123995011
2-(tert-butylamino)-1-[6-(ethylamino)-2-pyridinyl]ethane-1,1-diol
CID 155154325
N-[[1-(dimethylamino)cyclopentyl]methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 78953595
3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine
CID 140582162
2-phenyl-6-(2-pyridin-2-ylpropan-2-yl)pyridine
CID 58752837
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine
CID 80820064

Frequently Asked Questions

What is the IUPAC name of N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+)?
The IUPAC name of N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+) (CID 59357101) is N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+).
What is the SMILES notation for N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+)?
The canonical SMILES for N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+) is [H]/N=C(/C=[C-]\Nc1cccc(C(C)(C)c2cccc(N/[C-]=C\C(=N\[H])C(C)(C)C)n2)n1)C(C)(C)C.[Pt+2].
What is the InChIKey of N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+)?
The InChIKey is BPUNBRPOHFFANM-MUZCIKGXSA-N. The full InChI is InChI=1S/C27H36N6.Pt/c1-25(2,3)19(28)15-17-30-23-13-9-11-21(32-23)27(7,8)22-12-10-14-24(33-22)31-18-16-20(29)26(4,5)6;/h9-16,28-29H,1-8H3,(H,30,32)(H,31,33);/q-2;+2/b28-19-,29-20-;.
What are the key properties of N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+)?
N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+) has a molecular weight of 639.71 g/mol, XLogP of 6.39, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imino-4,4-dimethylpent-1-enyl)-6-[2-[6-[(3-imino-4,4-dimethylpent-1-enyl)amino]-2-pyridinyl]propan-2-yl]pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 59357101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).