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

C12H24N2O — CID 66214486

IUPAC1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol
SMILESCCCN(CC1(O)CCCC1)C1CNC1
InChIInChI=1S/C12H24N2O/c1-2-7-14(11-8-13-9-11)10-12(15)5-3-4-6-12/h11,13,15H,2-10H2,1H3
InChIKeySBNRZBNRNICKDB-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.98
Rot. Bonds5

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

1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol (PubChem CID 66214486) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol
PubChem CID66214486
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol
SMILESCCCN(CC1(O)CCCC1)C1CNC1
InChIInChI=1S/C12H24N2O/c1-2-7-14(11-8-13-9-11)10-12(15)5-3-4-6-12/h11,13,15H,2-10H2,1H3
InChIKeySBNRZBNRNICKDB-UHFFFAOYSA-N
XLogP0.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.98
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(propyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol (CID 66214486) is 1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol is CCCN(CC1(O)CCCC1)C1CNC1.
What is the InChIKey of 1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is SBNRZBNRNICKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-7-14(11-8-13-9-11)10-12(15)5-3-4-6-12/h11,13,15H,2-10H2,1H3.
What are the key properties of 1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol?
1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[azetidin-3-yl(propyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 66214486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).