2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate

C14H39NO7Ti — CID 88801518

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate
SMILESCCCCO.CCCCO.O.O.OCCN(CCO)CCO.[Ti]
InChIInChI=1S/C6H15NO3.2C4H10O.2H2O.Ti/c8-4-1-7(2-5-9)3-6-10;2*1-2-3-4-5;;;/h8-10H,1-6H2;2*5H,2-4H2,1H3;2*1H2;
InChIKeyPUHVSCMMMFIINE-UHFFFAOYSA-N
MW381.33 g/mol
LogP-1.83
Rot. Bonds10

About 2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate

2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate (PubChem CID 88801518) has the molecular formula C14H39NO7Ti and a molecular weight of 381.33 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate
PubChem CID88801518
Molecular FormulaC14H39NO7Ti
Molecular Weight381.33 g/mol
Exact Mass381.22
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate
SMILESCCCCO.CCCCO.O.O.OCCN(CCO)CCO.[Ti]
InChIInChI=1S/C6H15NO3.2C4H10O.2H2O.Ti/c8-4-1-7(2-5-9)3-6-10;2*1-2-3-4-5;;;/h8-10H,1-6H2;2*5H,2-4H2,1H3;2*1H2;
InChIKeyPUHVSCMMMFIINE-UHFFFAOYSA-N
XLogP-1.83
TPSA167.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 5-1.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
butane;butan-1-ol
CID 19774960
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
tetrakis(butan-1-ol);propane;titanium
CID 174520119

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate (CID 88801518) is 2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate is CCCCO.CCCCO.O.O.OCCN(CCO)CCO.[Ti].
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate?
The InChIKey is PUHVSCMMMFIINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.2C4H10O.2H2O.Ti/c8-4-1-7(2-5-9)3-6-10;2*1-2-3-4-5;;;/h8-10H,1-6H2;2*5H,2-4H2,1H3;2*1H2;.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate?
2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate has a molecular weight of 381.33 g/mol, XLogP of -1.83, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate is sourced from PubChem (CID 88801518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).