3-[bis(2-hydroxyethyl)amino]propan-1-ol

C7H17NO3 — CID 3034149

IUPAC3-[bis(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)CCO
InChIInChI=1S/C7H17NO3/c9-5-1-2-8(3-6-10)4-7-11/h9-11H,1-7H2
InChIKeyBIHLHMHULOMJLI-UHFFFAOYSA-N
MW163.22 g/mol
LogP-1.34
Rot. Bonds7

About 3-[bis(2-hydroxyethyl)amino]propan-1-ol

3-[bis(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 3034149) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]propan-1-ol
PubChem CID3034149
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name3-[bis(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)CCO
InChIInChI=1S/C7H17NO3/c9-5-1-2-8(3-6-10)4-7-11/h9-11H,1-7H2
InChIKeyBIHLHMHULOMJLI-UHFFFAOYSA-N
XLogP-1.34
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]propan-1-ol (CID 3034149) is 3-[bis(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]propan-1-ol is OCCCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is BIHLHMHULOMJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c9-5-1-2-8(3-6-10)4-7-11/h9-11H,1-7H2.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]propan-1-ol?
3-[bis(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 163.22 g/mol, XLogP of -1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 3034149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).