1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol

C10H21NO3 — CID 64819646

IUPAC1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol
SMILESCC(O)(CN)CCOC1CCOCC1
InChIInChI=1S/C10H21NO3/c1-10(12,8-11)4-7-14-9-2-5-13-6-3-9/h9,12H,2-8,11H2,1H3
InChIKeyADZQIMJTHSORKD-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.28
Rot. Bonds5

About 1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol

1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol (PubChem CID 64819646) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol
PubChem CID64819646
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol
SMILESCC(O)(CN)CCOC1CCOCC1
InChIInChI=1S/C10H21NO3/c1-10(12,8-11)4-7-14-9-2-5-13-6-3-9/h9,12H,2-8,11H2,1H3
InChIKeyADZQIMJTHSORKD-UHFFFAOYSA-N
XLogP0.28
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol (CID 64819646) is 1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol is CC(O)(CN)CCOC1CCOCC1.
What is the InChIKey of 1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol?
The InChIKey is ADZQIMJTHSORKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-10(12,8-11)4-7-14-9-2-5-13-6-3-9/h9,12H,2-8,11H2,1H3.
What are the key properties of 1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol?
1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol has a molecular weight of 203.28 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol is sourced from PubChem (CID 64819646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).