2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol

C12H26N2O3 — CID 146036159

IUPAC2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol
SMILESOCCNC1CCCCC1N(CCO)CCO
InChIInChI=1S/C12H26N2O3/c15-8-5-13-11-3-1-2-4-12(11)14(6-9-16)7-10-17/h11-13,15-17H,1-10H2
InChIKeyFNFGTJJFKQCRGL-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.83
Rot. Bonds8

About 2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol

2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol (PubChem CID 146036159) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol
PubChem CID146036159
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol
SMILESOCCNC1CCCCC1N(CCO)CCO
InChIInChI=1S/C12H26N2O3/c15-8-5-13-11-3-1-2-4-12(11)14(6-9-16)7-10-17/h11-13,15-17H,1-10H2
InChIKeyFNFGTJJFKQCRGL-UHFFFAOYSA-N
XLogP-0.83
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol (CID 146036159) is 2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol is OCCNC1CCCCC1N(CCO)CCO.
What is the InChIKey of 2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol?
The InChIKey is FNFGTJJFKQCRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c15-8-5-13-11-3-1-2-4-12(11)14(6-9-16)7-10-17/h11-13,15-17H,1-10H2.
What are the key properties of 2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol?
2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol has a molecular weight of 246.35 g/mol, XLogP of -0.83, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(2-hydroxyethyl)amino]cyclohexyl]amino]ethanol is sourced from PubChem (CID 146036159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).