2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol

C9H18N2O — CID 66184796

IUPAC2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol
SMILESCN(C1CNC1)C1CCCC1O
InChIInChI=1S/C9H18N2O/c1-11(7-5-10-6-7)8-3-2-4-9(8)12/h7-10,12H,2-6H2,1H3
InChIKeyPPTSNJQOCOXVIG-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.20
Rot. Bonds2

About 2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol

2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol (PubChem CID 66184796) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol
PubChem CID66184796
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol
SMILESCN(C1CNC1)C1CCCC1O
InChIInChI=1S/C9H18N2O/c1-11(7-5-10-6-7)8-3-2-4-9(8)12/h7-10,12H,2-6H2,1H3
InChIKeyPPTSNJQOCOXVIG-UHFFFAOYSA-N
XLogP-0.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol (CID 66184796) is 2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol is CN(C1CNC1)C1CCCC1O.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol?
The InChIKey is PPTSNJQOCOXVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(7-5-10-6-7)8-3-2-4-9(8)12/h7-10,12H,2-6H2,1H3.
What are the key properties of 2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol?
2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol has a molecular weight of 170.26 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 66184796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).