1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol

C11H21NO2 — CID 103715907

IUPAC1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
SMILESNCC1(C2(O)CCCC2)CCCOC1
InChIInChI=1S/C11H21NO2/c12-8-10(4-3-7-14-9-10)11(13)5-1-2-6-11/h13H,1-9,12H2
InChIKeyBHQDHMPSIKVFJQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.05
Rot. Bonds2

About 1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol

1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol (PubChem CID 103715907) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
PubChem CID103715907
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
SMILESNCC1(C2(O)CCCC2)CCCOC1
InChIInChI=1S/C11H21NO2/c12-8-10(4-3-7-14-9-10)11(13)5-1-2-6-11/h13H,1-9,12H2
InChIKeyBHQDHMPSIKVFJQ-UHFFFAOYSA-N
XLogP1.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol (CID 103715907) is 1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol is NCC1(C2(O)CCCC2)CCCOC1.
What is the InChIKey of 1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol?
The InChIKey is BHQDHMPSIKVFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c12-8-10(4-3-7-14-9-10)11(13)5-1-2-6-11/h13H,1-9,12H2.
What are the key properties of 1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol?
1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 103715907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).