bis(3-(diethylamino)propan-1-ol);zirconium

C14H34N2O2Zr — CID 158788459

IUPACbis(3-(diethylamino)propan-1-ol);zirconium
SMILESCCN(CC)CCCO.CCN(CC)CCCO.[Zr]
InChIInChI=1S/2C7H17NO.Zr/c2*1-3-8(4-2)6-5-7-9;/h2*9H,3-7H2,1-2H3;
InChIKeyXZSUQZQALGBOKS-UHFFFAOYSA-N
MW353.66 g/mol
LogP1.42
Rot. Bonds10

About bis(3-(diethylamino)propan-1-ol);zirconium

bis(3-(diethylamino)propan-1-ol);zirconium (PubChem CID 158788459) has the molecular formula C14H34N2O2Zr and a molecular weight of 353.66 g/mol. Its IUPAC name is bis(3-(diethylamino)propan-1-ol);zirconium.

Molecular Properties

Compound Namebis(3-(diethylamino)propan-1-ol);zirconium
PubChem CID158788459
Molecular FormulaC14H34N2O2Zr
Molecular Weight353.66 g/mol
Exact Mass352.17
IUPAC Namebis(3-(diethylamino)propan-1-ol);zirconium
SMILESCCN(CC)CCCO.CCN(CC)CCCO.[Zr]
InChIInChI=1S/2C7H17NO.Zr/c2*1-3-8(4-2)6-5-7-9;/h2*9H,3-7H2,1-2H3;
InChIKeyXZSUQZQALGBOKS-UHFFFAOYSA-N
XLogP1.42
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.66
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(diethylamino)propyl-methylamino]propan-1-ol
CID 12721796
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
CID 176699936
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
5-[ethyl(3-hydroxypropyl)amino]pentanenitrile
CID 115666448
3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol
CID 103714098
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688
3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol
CID 174850571
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol
CID 59110283

Frequently Asked Questions

What is the IUPAC name of bis(3-(diethylamino)propan-1-ol);zirconium?
The IUPAC name of bis(3-(diethylamino)propan-1-ol);zirconium (CID 158788459) is bis(3-(diethylamino)propan-1-ol);zirconium.
What is the SMILES notation for bis(3-(diethylamino)propan-1-ol);zirconium?
The canonical SMILES for bis(3-(diethylamino)propan-1-ol);zirconium is CCN(CC)CCCO.CCN(CC)CCCO.[Zr].
What is the InChIKey of bis(3-(diethylamino)propan-1-ol);zirconium?
The InChIKey is XZSUQZQALGBOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H17NO.Zr/c2*1-3-8(4-2)6-5-7-9;/h2*9H,3-7H2,1-2H3;.
What are the key properties of bis(3-(diethylamino)propan-1-ol);zirconium?
bis(3-(diethylamino)propan-1-ol);zirconium has a molecular weight of 353.66 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(diethylamino)propan-1-ol);zirconium is sourced from PubChem (CID 158788459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).