cyclopentanamine;ethanol

C9H23NO2 — CID 158775585

IUPACcyclopentanamine;ethanol
SMILESCCO.CCO.NC1CCCC1
InChIInChI=1S/C5H11N.2C2H6O/c6-5-3-1-2-4-5;2*1-2-3/h5H,1-4,6H2;2*3H,2H2,1H3
InChIKeyIQKYXBTVDDLFQU-UHFFFAOYSA-N
MW177.29 g/mol
LogP0.88
Rot. Bonds

About cyclopentanamine;ethanol

cyclopentanamine;ethanol (PubChem CID 158775585) has the molecular formula C9H23NO2 and a molecular weight of 177.29 g/mol. Its IUPAC name is cyclopentanamine;ethanol.

Molecular Properties

Compound Namecyclopentanamine;ethanol
PubChem CID158775585
Molecular FormulaC9H23NO2
Molecular Weight177.29 g/mol
Exact Mass177.17
IUPAC Namecyclopentanamine;ethanol
SMILESCCO.CCO.NC1CCCC1
InChIInChI=1S/C5H11N.2C2H6O/c6-5-3-1-2-4-5;2*1-2-3/h5H,1-4,6H2;2*3H,2H2,1H3
InChIKeyIQKYXBTVDDLFQU-UHFFFAOYSA-N
XLogP0.88
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentanamine;ethanol?
The IUPAC name of cyclopentanamine;ethanol (CID 158775585) is cyclopentanamine;ethanol.
What is the SMILES notation for cyclopentanamine;ethanol?
The canonical SMILES for cyclopentanamine;ethanol is CCO.CCO.NC1CCCC1.
What is the InChIKey of cyclopentanamine;ethanol?
The InChIKey is IQKYXBTVDDLFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.2C2H6O/c6-5-3-1-2-4-5;2*1-2-3/h5H,1-4,6H2;2*3H,2H2,1H3.
What are the key properties of cyclopentanamine;ethanol?
cyclopentanamine;ethanol has a molecular weight of 177.29 g/mol, XLogP of 0.88, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanamine;ethanol is sourced from PubChem (CID 158775585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).