3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol

C11H26N2O2 — CID 64825973

IUPAC3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol
SMILESCCC(C)N(CCOC)CC(CO)NC
InChIInChI=1S/C11H26N2O2/c1-5-10(2)13(6-7-15-4)8-11(9-14)12-3/h10-12,14H,5-9H2,1-4H3
InChIKeyYWZDZAXZRIGBON-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.31
Rot. Bonds9

About 3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol

3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol (PubChem CID 64825973) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol
PubChem CID64825973
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol
SMILESCCC(C)N(CCOC)CC(CO)NC
InChIInChI=1S/C11H26N2O2/c1-5-10(2)13(6-7-15-4)8-11(9-14)12-3/h10-12,14H,5-9H2,1-4H3
InChIKeyYWZDZAXZRIGBON-UHFFFAOYSA-N
XLogP0.31
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol (CID 64825973) is 3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol is CCC(C)N(CCOC)CC(CO)NC.
What is the InChIKey of 3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol?
The InChIKey is YWZDZAXZRIGBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-5-10(2)13(6-7-15-4)8-11(9-14)12-3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol?
3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64825973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).