2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol

C14H29NO2 — CID 55225868

IUPAC2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(C)CC1CCCOC1
InChIInChI=1S/C14H29NO2/c1-4-14(5-2,12-16)11-15(3)9-13-7-6-8-17-10-13/h13,16H,4-12H2,1-3H3
InChIKeyZCLVWAARIYUSBU-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.14
Rot. Bonds7

About 2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol

2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol (PubChem CID 55225868) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol
PubChem CID55225868
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN(C)CC1CCCOC1
InChIInChI=1S/C14H29NO2/c1-4-14(5-2,12-16)11-15(3)9-13-7-6-8-17-10-13/h13,16H,4-12H2,1-3H3
InChIKeyZCLVWAARIYUSBU-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol (CID 55225868) is 2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol is CCC(CC)(CO)CN(C)CC1CCCOC1.
What is the InChIKey of 2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol?
The InChIKey is ZCLVWAARIYUSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-14(5-2,12-16)11-15(3)9-13-7-6-8-17-10-13/h13,16H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 55225868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).