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

C9H18N2O — CID 102875396

IUPAC2-[azetidin-3-yl(cyclobutyl)amino]ethanol
SMILESOCCN(C1CCC1)C1CNC1
InChIInChI=1S/C9H18N2O/c12-5-4-11(8-2-1-3-8)9-6-10-7-9/h8-10,12H,1-7H2
InChIKeyQMDAAOJLOWDBIU-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.19
Rot. Bonds4

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

2-[azetidin-3-yl(cyclobutyl)amino]ethanol (PubChem CID 102875396) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[azetidin-3-yl(cyclobutyl)amino]ethanol.

Molecular Properties

Compound Name2-[azetidin-3-yl(cyclobutyl)amino]ethanol
PubChem CID102875396
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[azetidin-3-yl(cyclobutyl)amino]ethanol
SMILESOCCN(C1CCC1)C1CNC1
InChIInChI=1S/C9H18N2O/c12-5-4-11(8-2-1-3-8)9-6-10-7-9/h8-10,12H,1-7H2
InChIKeyQMDAAOJLOWDBIU-UHFFFAOYSA-N
XLogP-0.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-propylazetidin-3-amine
CID 66183284
N-(4-methylcycloheptyl)-N-propylazetidin-3-amine
CID 66182876
2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol
CID 102875894
2-[cyclobutyl-(3-methylcyclohexyl)amino]ethanol
CID 102870175
2-[2-hydroxyethyl(piperidin-3-yl)amino]ethanol
CID 79468041
2-[(4-aminocyclohexyl)-cyclopropylamino]ethanol
CID 79467685
2-[cyclopropyl(thian-4-yl)amino]ethanol
CID 121203663
2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 102870203
3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one
CID 79617866
3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile
CID 79468343
N-(4-ethylcyclohexyl)-N-propylazetidin-3-amine
CID 66183278
N-ethyl-N-(4-methylcycloheptyl)azetidin-3-amine
CID 66181660

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(cyclobutyl)amino]ethanol?
The IUPAC name of 2-[azetidin-3-yl(cyclobutyl)amino]ethanol (CID 102875396) is 2-[azetidin-3-yl(cyclobutyl)amino]ethanol.
What is the SMILES notation for 2-[azetidin-3-yl(cyclobutyl)amino]ethanol?
The canonical SMILES for 2-[azetidin-3-yl(cyclobutyl)amino]ethanol is OCCN(C1CCC1)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(cyclobutyl)amino]ethanol?
The InChIKey is QMDAAOJLOWDBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c12-5-4-11(8-2-1-3-8)9-6-10-7-9/h8-10,12H,1-7H2.
What are the key properties of 2-[azetidin-3-yl(cyclobutyl)amino]ethanol?
2-[azetidin-3-yl(cyclobutyl)amino]ethanol has a molecular weight of 170.26 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(cyclobutyl)amino]ethanol is sourced from PubChem (CID 102875396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).