(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol

C11H21NO2 — CID 97035401

IUPAC(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
SMILESNCC1([C@H](O)C2CCC2)CCOCC1
InChIInChI=1S/C11H21NO2/c12-8-11(4-6-14-7-5-11)10(13)9-2-1-3-9/h9-10,13H,1-8,12H2/t10-/m1/s1
InChIKeyCDJPDAXAAAUULX-SNVBAGLBSA-N
MW199.29 g/mol
LogP0.90
Rot. Bonds3

About (R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol

(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol (PubChem CID 97035401) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol.

Molecular Properties

Compound Name(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
PubChem CID97035401
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
SMILESNCC1([C@H](O)C2CCC2)CCOCC1
InChIInChI=1S/C11H21NO2/c12-8-11(4-6-14-7-5-11)10(13)9-2-1-3-9/h9-10,13H,1-8,12H2/t10-/m1/s1
InChIKeyCDJPDAXAAAUULX-SNVBAGLBSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol?
The IUPAC name of (R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol (CID 97035401) is (R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol.
What is the SMILES notation for (R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol?
The canonical SMILES for (R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol is NCC1([C@H](O)C2CCC2)CCOCC1.
What is the InChIKey of (R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol?
The InChIKey is CDJPDAXAAAUULX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO2/c12-8-11(4-6-14-7-5-11)10(13)9-2-1-3-9/h9-10,13H,1-8,12H2/t10-/m1/s1.
What are the key properties of (R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol?
(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol has a molecular weight of 199.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol is sourced from PubChem (CID 97035401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).