4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol

C11H24N2O2 — CID 114948584

IUPAC4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol
SMILESCC(CN)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C11H24N2O2/c1-10(7-12)8-13(2)9-11(14)3-5-15-6-4-11/h10,14H,3-9,12H2,1-2H3
InChIKeyJNTHVXJNJLLQDQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.05
Rot. Bonds5

About 4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol

4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol (PubChem CID 114948584) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol
PubChem CID114948584
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol
SMILESCC(CN)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C11H24N2O2/c1-10(7-12)8-13(2)9-11(14)3-5-15-6-4-11/h10,14H,3-9,12H2,1-2H3
InChIKeyJNTHVXJNJLLQDQ-UHFFFAOYSA-N
XLogP0.05
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol (CID 114948584) is 4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol is CC(CN)CN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol?
The InChIKey is JNTHVXJNJLLQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-10(7-12)8-13(2)9-11(14)3-5-15-6-4-11/h10,14H,3-9,12H2,1-2H3.
What are the key properties of 4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol?
4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol has a molecular weight of 216.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-amino-2-methylpropyl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).