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

C14H32CuN3O7+ — CID 5351947

IUPACcopper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate
SMILESCC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/C14H32N2O4.Cu.NO3/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20;;2-1(3)4/h11-14,17-20H,5-10H2,1-4H3;;/q;+2;-1
InChIKeyOJIOOXUWZIMSNQ-UHFFFAOYSA-N
MW417.97 g/mol
LogP-1.13
Rot. Bonds11

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

copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate (PubChem CID 5351947) has the molecular formula C14H32CuN3O7+ and a molecular weight of 417.97 g/mol. Its IUPAC name is copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate.

Molecular Properties

Compound Namecopper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate
PubChem CID5351947
Molecular FormulaC14H32CuN3O7+
Molecular Weight417.97 g/mol
Exact Mass417.15
IUPAC Namecopper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate
SMILESCC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/C14H32N2O4.Cu.NO3/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20;;2-1(3)4/h11-14,17-20H,5-10H2,1-4H3;;/q;+2;-1
InChIKeyOJIOOXUWZIMSNQ-UHFFFAOYSA-N
XLogP-1.13
TPSA153.60 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.97
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol;sulfate
CID 54611426
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
copper 1-nitroethanol
CID 87244389
sodium;propane-1,2-diol;nitrate
CID 174898627
propane-1,2-diol;yttrium(3+);trinitrate
CID 172735884
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
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
magnesium;propan-2-ol;dinitrate
CID 172773063
3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328936
[3-[bis(2-hydroxypropyl)amino]-1-phosphonopropyl]phosphonic acid
CID 21430077

Frequently Asked Questions

What is the IUPAC name of copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate?
The IUPAC name of copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate (CID 5351947) is copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate.
What is the SMILES notation for copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate?
The canonical SMILES for copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate is CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.O=[N+]([O-])[O-].[Cu+2].
What is the InChIKey of copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate?
The InChIKey is OJIOOXUWZIMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O4.Cu.NO3/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20;;2-1(3)4/h11-14,17-20H,5-10H2,1-4H3;;/q;+2;-1.
What are the key properties of copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate?
copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate has a molecular weight of 417.97 g/mol, XLogP of -1.13, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate is sourced from PubChem (CID 5351947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).