6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium

C31H44N12Os — CID 58544420

IUPAC6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium
SMILESCc1ccccn1.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.NCCCCCCn1ccnc1.[Os]
InChIInChI=1S/C9H17N3.2C8H10N4.C6H7N.Os/c10-5-3-1-2-4-7-12-8-6-11-9-12;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;1-6-4-2-3-5-7-6;/h6,8-9H,1-5,7,10H2;2*3-6H,1-2H3;2-5H,1H3;
InChIKeyLISQGKAGFWFVBK-UHFFFAOYSA-N
MW775.01 g/mol
LogP4.43
Rot. Bonds8

About 6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium

6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium (PubChem CID 58544420) has the molecular formula C31H44N12Os and a molecular weight of 775.01 g/mol. Its IUPAC name is 6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium.

Molecular Properties

Compound Name6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium
PubChem CID58544420
Molecular FormulaC31H44N12Os
Molecular Weight775.01 g/mol
Exact Mass776.34
IUPAC Name6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium
SMILESCc1ccccn1.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.NCCCCCCn1ccnc1.[Os]
InChIInChI=1S/C9H17N3.2C8H10N4.C6H7N.Os/c10-5-3-1-2-4-7-12-8-6-11-9-12;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;1-6-4-2-3-5-7-6;/h6,8-9H,1-5,7,10H2;2*3-6H,1-2H3;2-5H,1H3;
InChIKeyLISQGKAGFWFVBK-UHFFFAOYSA-N
XLogP4.43
TPSA128.01 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium with MolForge

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Related Compounds

chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(2-pyridin-2-ylpyridine)
CID 11585550
3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
3-[2-(1-methylimidazol-2-yl)phenyl]propan-1-amine
CID 117307087
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
CID 107207249
1-(8-phenyloctyl)imidazole
CID 102394184
N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 61494615
1-(11,11-dimethyldodecyl)imidazole
CID 118887404
2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole
CID 56748742
chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
CID 59575067
N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79289839

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium?
The IUPAC name of 6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium (CID 58544420) is 6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium.
What is the SMILES notation for 6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium?
The canonical SMILES for 6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium is Cc1ccccn1.Cn1ccnc1-c1nccn1C.Cn1ccnc1-c1nccn1C.NCCCCCCn1ccnc1.[Os].
What is the InChIKey of 6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium?
The InChIKey is LISQGKAGFWFVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.2C8H10N4.C6H7N.Os/c10-5-3-1-2-4-7-12-8-6-11-9-12;2*1-11-5-3-9-7(11)8-10-4-6-12(8)2;1-6-4-2-3-5-7-6;/h6,8-9H,1-5,7,10H2;2*3-6H,1-2H3;2-5H,1H3;.
What are the key properties of 6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium?
6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium has a molecular weight of 775.01 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-ylhexan-1-amine;bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);2-methylpyridine;osmium is sourced from PubChem (CID 58544420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).