3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol

C11H23NO2 — CID 114493671

IUPAC3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1(C)CCOC1
InChIInChI=1S/C11H23NO2/c1-4-11(13,5-2)8-12-10(3)6-7-14-9-10/h12-13H,4-9H2,1-3H3
InChIKeyQFVLTSQQCBHLFO-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.31
Rot. Bonds5

About 3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol

3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol (PubChem CID 114493671) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol
PubChem CID114493671
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1(C)CCOC1
InChIInChI=1S/C11H23NO2/c1-4-11(13,5-2)8-12-10(3)6-7-14-9-10/h12-13H,4-9H2,1-3H3
InChIKeyQFVLTSQQCBHLFO-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol (CID 114493671) is 3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNC1(C)CCOC1.
What is the InChIKey of 3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol?
The InChIKey is QFVLTSQQCBHLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-11(13,5-2)8-12-10(3)6-7-14-9-10/h12-13H,4-9H2,1-3H3.
What are the key properties of 3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol?
3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol has a molecular weight of 201.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 114493671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).