3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol

C11H24N2O3 — CID 114356718

IUPAC3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol
SMILESCOCC(N)C(CO)N(C)C1CCOCC1
InChIInChI=1S/C11H24N2O3/c1-13(9-3-5-16-6-4-9)11(7-14)10(12)8-15-2/h9-11,14H,3-8,12H2,1-2H3
InChIKeyPBECZHGSARRAES-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.57
Rot. Bonds6

About 3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol

3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol (PubChem CID 114356718) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol
PubChem CID114356718
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol
SMILESCOCC(N)C(CO)N(C)C1CCOCC1
InChIInChI=1S/C11H24N2O3/c1-13(9-3-5-16-6-4-9)11(7-14)10(12)8-15-2/h9-11,14H,3-8,12H2,1-2H3
InChIKeyPBECZHGSARRAES-UHFFFAOYSA-N
XLogP-0.57
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol (CID 114356718) is 3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol is COCC(N)C(CO)N(C)C1CCOCC1.
What is the InChIKey of 3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol?
The InChIKey is PBECZHGSARRAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-13(9-3-5-16-6-4-9)11(7-14)10(12)8-15-2/h9-11,14H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol?
3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol has a molecular weight of 232.32 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol is sourced from PubChem (CID 114356718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).