2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine

C12H28N2O3 — CID 161107033

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine
SMILESNC1CCCCC1.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C6H13N/c8-4-1-7(2-5-9)3-6-10;7-6-4-2-1-3-5-6/h8-10H,1-6H2;6H,1-5,7H2
InChIKeyUJEPGTBBFNBYSR-UHFFFAOYSA-N
MW248.37 g/mol
LogP-0.46
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine

2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine (PubChem CID 161107033) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine
PubChem CID161107033
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine
SMILESNC1CCCCC1.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C6H13N/c8-4-1-7(2-5-9)3-6-10;7-6-4-2-1-3-5-6/h8-10H,1-6H2;6H,1-5,7H2
InChIKeyUJEPGTBBFNBYSR-UHFFFAOYSA-N
XLogP-0.46
TPSA89.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine (CID 161107033) is 2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine is NC1CCCCC1.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine?
The InChIKey is UJEPGTBBFNBYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C6H13N/c8-4-1-7(2-5-9)3-6-10;7-6-4-2-1-3-5-6/h8-10H,1-6H2;6H,1-5,7H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine?
2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine has a molecular weight of 248.37 g/mol, XLogP of -0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;cyclohexanamine is sourced from PubChem (CID 161107033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).