2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol

C10H21NO3 — CID 60714576

IUPAC2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol
SMILESOCCN(CCO)C1CCCCC1O
InChIInChI=1S/C10H21NO3/c12-7-5-11(6-8-13)9-3-1-2-4-10(9)14/h9-10,12-14H,1-8H2
InChIKeyKVCLIHKZLNREID-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.42
Rot. Bonds5

About 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol

2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol (PubChem CID 60714576) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol
PubChem CID60714576
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol
SMILESOCCN(CCO)C1CCCCC1O
InChIInChI=1S/C10H21NO3/c12-7-5-11(6-8-13)9-3-1-2-4-10(9)14/h9-10,12-14H,1-8H2
InChIKeyKVCLIHKZLNREID-UHFFFAOYSA-N
XLogP-0.42
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol (CID 60714576) is 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol is OCCN(CCO)C1CCCCC1O.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol?
The InChIKey is KVCLIHKZLNREID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c12-7-5-11(6-8-13)9-3-1-2-4-10(9)14/h9-10,12-14H,1-8H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol?
2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol has a molecular weight of 203.28 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 60714576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).