2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol

C13H27NO2 — CID 81419974

IUPAC2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCC1(C)CCCO1
InChIInChI=1S/C13H27NO2/c1-4-13(5-2,11-15)10-14-9-12(3)7-6-8-16-12/h14-15H,4-11H2,1-3H3
InChIKeySQGKLLBAYWQMCQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About 2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol

2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol (PubChem CID 81419974) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol
PubChem CID81419974
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCC1(C)CCCO1
InChIInChI=1S/C13H27NO2/c1-4-13(5-2,11-15)10-14-9-12(3)7-6-8-16-12/h14-15H,4-11H2,1-3H3
InChIKeySQGKLLBAYWQMCQ-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol (CID 81419974) is 2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCC1(C)CCCO1.
What is the InChIKey of 2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol?
The InChIKey is SQGKLLBAYWQMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-13(5-2,11-15)10-14-9-12(3)7-6-8-16-12/h14-15H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol?
2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 81419974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).