2-[azetidin-3-yl(butyl)amino]ethanol

C9H20N2O — CID 79467930

IUPAC2-[azetidin-3-yl(butyl)amino]ethanol
SMILESCCCCN(CCO)C1CNC1
InChIInChI=1S/C9H20N2O/c1-2-3-4-11(5-6-12)9-7-10-8-9/h9-10,12H,2-8H2,1H3
InChIKeyNDRWCVIKPIMXMX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds6

About 2-[azetidin-3-yl(butyl)amino]ethanol

2-[azetidin-3-yl(butyl)amino]ethanol (PubChem CID 79467930) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[azetidin-3-yl(butyl)amino]ethanol.

Molecular Properties

Compound Name2-[azetidin-3-yl(butyl)amino]ethanol
PubChem CID79467930
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[azetidin-3-yl(butyl)amino]ethanol
SMILESCCCCN(CCO)C1CNC1
InChIInChI=1S/C9H20N2O/c1-2-3-4-11(5-6-12)9-7-10-8-9/h9-10,12H,2-8H2,1H3
InChIKeyNDRWCVIKPIMXMX-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[azetidin-3-yl(propyl)amino]propan-1-ol
CID 66215108
2-[butyl(oxan-4-yl)amino]ethanol
CID 63937119
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
3-N,3-N,4-N,4-N,5-N,5-N-hexabutylpiperidine-3,4,5-triamine
CID 23374298
2-[ethyl(pyrrolidin-3-yl)amino]ethanol
CID 56831602
(3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol
CID 126847057
2-[2-hydroxyethyl(piperidin-3-yl)amino]ethanol
CID 79468041
N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine
CID 103411100
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
2-[butyl-(2-methylcyclopentyl)amino]ethanol
CID 89249359
N-(2-butoxyethyl)-N-ethylazetidin-3-amine
CID 66182391

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(butyl)amino]ethanol?
The IUPAC name of 2-[azetidin-3-yl(butyl)amino]ethanol (CID 79467930) is 2-[azetidin-3-yl(butyl)amino]ethanol.
What is the SMILES notation for 2-[azetidin-3-yl(butyl)amino]ethanol?
The canonical SMILES for 2-[azetidin-3-yl(butyl)amino]ethanol is CCCCN(CCO)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(butyl)amino]ethanol?
The InChIKey is NDRWCVIKPIMXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-3-4-11(5-6-12)9-7-10-8-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[azetidin-3-yl(butyl)amino]ethanol?
2-[azetidin-3-yl(butyl)amino]ethanol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(butyl)amino]ethanol is sourced from PubChem (CID 79467930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).