4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol

C11H24N2O2 — CID 114948513

IUPAC4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C(C)(C)CN
InChIInChI=1S/C11H24N2O2/c1-10(2,8-12)13(3)9-11(14)4-6-15-7-5-11/h14H,4-9,12H2,1-3H3
InChIKeyHLWLIHVYKLKENX-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.20
Rot. Bonds4

About 4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol

4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 114948513) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol
PubChem CID114948513
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C(C)(C)CN
InChIInChI=1S/C11H24N2O2/c1-10(2,8-12)13(3)9-11(14)4-6-15-7-5-11/h14H,4-9,12H2,1-3H3
InChIKeyHLWLIHVYKLKENX-UHFFFAOYSA-N
XLogP0.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol (CID 114948513) is 4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)C(C)(C)CN.
What is the InChIKey of 4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is HLWLIHVYKLKENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-10(2,8-12)13(3)9-11(14)4-6-15-7-5-11/h14H,4-9,12H2,1-3H3.
What are the key properties of 4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol?
4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 216.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-amino-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).