copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate

C19H43CuN3O9S — CID 54611426

IUPACcopper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate
SMILESCC(O)CN(CCN(CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/C19H43N3O5.Cu.H2O4S/c1-15(23)10-20(6-8-21(11-16(2)24)12-17(3)25)7-9-22(13-18(4)26)14-19(5)27;;1-5(2,3)4/h15-19,23-27H,6-14H2,1-5H3;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyMVHUOBWHKCXXDD-UHFFFAOYSA-L
MW553.18 g/mol
LogP-2.54
Rot. Bonds16

About copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate

copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate (PubChem CID 54611426) has the molecular formula C19H43CuN3O9S and a molecular weight of 553.18 g/mol. Its IUPAC name is copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate.

Molecular Properties

Compound Namecopper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate
PubChem CID54611426
Molecular FormulaC19H43CuN3O9S
Molecular Weight553.18 g/mol
Exact Mass552.20
IUPAC Namecopper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate
SMILESCC(O)CN(CCN(CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/C19H43N3O5.Cu.H2O4S/c1-15(23)10-20(6-8-21(11-16(2)24)12-17(3)25)7-9-22(13-18(4)26)14-19(5)27;;1-5(2,3)4/h15-19,23-27H,6-14H2,1-5H3;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyMVHUOBWHKCXXDD-UHFFFAOYSA-L
XLogP-2.54
TPSA191.13 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.18
LogP ≤ 5-2.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate
CID 5351947
1-[2-(dipropylamino)ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890051
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889984
bis(tetramethylphosphanium);sulfate
CID 87132356
1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889997
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 170839006
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
1-[bis(3-aminopropyl)amino]propan-2-ol
CID 88627199
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
[3-[bis(2-hydroxypropyl)amino]-1-phosphonopropyl]phosphonic acid
CID 21430077

Frequently Asked Questions

What is the IUPAC name of copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate?
The IUPAC name of copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate (CID 54611426) is copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate.
What is the SMILES notation for copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate?
The canonical SMILES for copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate is CC(O)CN(CCN(CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O.O=S(=O)([O-])[O-].[Cu+2].
What is the InChIKey of copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate?
The InChIKey is MVHUOBWHKCXXDD-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H43N3O5.Cu.H2O4S/c1-15(23)10-20(6-8-21(11-16(2)24)12-17(3)25)7-9-22(13-18(4)26)14-19(5)27;;1-5(2,3)4/h15-19,23-27H,6-14H2,1-5H3;;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate?
copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate has a molecular weight of 553.18 g/mol, XLogP of -2.54, 16 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate is sourced from PubChem (CID 54611426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).