acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese

C56H64Mn2N12O4 — CID 158480900

IUPACacetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
SMILESCC(=O)O.OC(CN(Cc1ccccn1)Cc1ccccn1)CN(Cc1ccccn1)Cc1ccccn1.OC(CN(Cc1ccccn1)Cc1ccccn1)CN(Cc1ccccn1)Cc1ccccn1.[Mn].[Mn]
InChIInChI=1S/2C27H30N6O.C2H4O2.2Mn/c2*34-27(21-32(17-23-9-1-5-13-28-23)18-24-10-2-6-14-29-24)22-33(19-25-11-3-7-15-30-25)20-26-12-4-8-16-31-26;1-2(3)4;;/h2*1-16,27,34H,17-22H2;1H3,(H,3,4);;
InChIKeyNCCGIRKYHRSFFZ-UHFFFAOYSA-N
MW1079.08 g/mol
LogP6.75
Rot. Bonds24

About acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese

acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese (PubChem CID 158480900) has the molecular formula C56H64Mn2N12O4 and a molecular weight of 1079.08 g/mol. Its IUPAC name is acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese.

Molecular Properties

Compound Nameacetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
PubChem CID158480900
Molecular FormulaC56H64Mn2N12O4
Molecular Weight1079.08 g/mol
Exact Mass1078.39
IUPAC Nameacetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
SMILESCC(=O)O.OC(CN(Cc1ccccn1)Cc1ccccn1)CN(Cc1ccccn1)Cc1ccccn1.OC(CN(Cc1ccccn1)Cc1ccccn1)CN(Cc1ccccn1)Cc1ccccn1.[Mn].[Mn]
InChIInChI=1S/2C27H30N6O.C2H4O2.2Mn/c2*34-27(21-32(17-23-9-1-5-13-28-23)18-24-10-2-6-14-29-24)22-33(19-25-11-3-7-15-30-25)20-26-12-4-8-16-31-26;1-2(3)4;;/h2*1-16,27,34H,17-22H2;1H3,(H,3,4);;
InChIKeyNCCGIRKYHRSFFZ-UHFFFAOYSA-N
XLogP6.75
TPSA193.84 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.08
LogP ≤ 56.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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Related Compounds

zinc;acetic acid;1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol;zinc;dihexafluorophosphate
CID 90472653
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
1-[bis(pyridin-2-ylmethyl)amino]-3-[(6-tert-butyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-2-ol
CID 138529927
1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 102227069
ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate
CID 82769148
3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol
CID 132519367
2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 46982647
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
1-[1-azacyclohepta-1,3,5,6-tetraen-2-ylmethyl(pyridin-2-ylmethyl)amino]-3-[bis(pyridin-2-ylmethyl)amino]propan-2-ol
CID 163747315
acetic acid;2-ethylpyridine
CID 70072313
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese?
The IUPAC name of acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese (CID 158480900) is acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese.
What is the SMILES notation for acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese?
The canonical SMILES for acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese is CC(=O)O.OC(CN(Cc1ccccn1)Cc1ccccn1)CN(Cc1ccccn1)Cc1ccccn1.OC(CN(Cc1ccccn1)Cc1ccccn1)CN(Cc1ccccn1)Cc1ccccn1.[Mn].[Mn].
What is the InChIKey of acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese?
The InChIKey is NCCGIRKYHRSFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H30N6O.C2H4O2.2Mn/c2*34-27(21-32(17-23-9-1-5-13-28-23)18-24-10-2-6-14-29-24)22-33(19-25-11-3-7-15-30-25)20-26-12-4-8-16-31-26;1-2(3)4;;/h2*1-16,27,34H,17-22H2;1H3,(H,3,4);;.
What are the key properties of acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese?
acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese has a molecular weight of 1079.08 g/mol, XLogP of 6.75, 24 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese is sourced from PubChem (CID 158480900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).