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

C11H22N2O — CID 66183861

IUPAC1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol
SMILESCCN(CC1(O)CCCC1)C1CNC1
InChIInChI=1S/C11H22N2O/c1-2-13(10-7-12-8-10)9-11(14)5-3-4-6-11/h10,12,14H,2-9H2,1H3
InChIKeyXBAUISYINXPIPA-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.59
Rot. Bonds4

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

1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol (PubChem CID 66183861) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol
PubChem CID66183861
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol
SMILESCCN(CC1(O)CCCC1)C1CNC1
InChIInChI=1S/C11H22N2O/c1-2-13(10-7-12-8-10)9-11(14)5-3-4-6-11/h10,12,14H,2-9H2,1H3
InChIKeyXBAUISYINXPIPA-UHFFFAOYSA-N
XLogP0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol (CID 66183861) is 1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol is CCN(CC1(O)CCCC1)C1CNC1.
What is the InChIKey of 1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is XBAUISYINXPIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-13(10-7-12-8-10)9-11(14)5-3-4-6-11/h10,12,14H,2-9H2,1H3.
What are the key properties of 1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol?
1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[azetidin-3-yl(ethyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 66183861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).