1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane

C18H49N3O3 — CID 159659020

About 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane

1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane (PubChem CID 159659020) has the molecular formula C18H49N3O3 and a molecular weight of 355.61 g/mol. Its IUPAC name is 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane.

Molecular Properties

• Compound Name: 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane
• PubChem CID: 159659020
• Molecular Formula: C18H49N3O3
• Molecular Weight: 355.61 g/mol
• Exact Mass: 355.38
• IUPAC Name: 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane
• SMILES: C.C.C.C.CC(CN(CCN)CCN)OCC(O)COC(C)(C)C
• InChI: InChI=1S/C14H33N3O3.4CH4/c1-12(9-17(7-5-15)8-6-16)19-10-13(18)11-20-14(2,3)4;;;;/h12-13,18H,5-11,15-16H2,1-4H3;4*1H4
• InChIKey: MSOARLOJXYTSHK-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 93.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.61
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane?

The IUPAC name of 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane (CID 159659020) is 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane.

What is the SMILES notation for 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane?

The canonical SMILES for 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane is C.C.C.C.CC(CN(CCN)CCN)OCC(O)COC(C)(C)C.

What is the InChIKey of 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane?

The InChIKey is MSOARLOJXYTSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O3.4CH4/c1-12(9-17(7-5-15)8-6-16)19-10-13(18)11-20-14(2,3)4;;;;/h12-13,18H,5-11,15-16H2,1-4H3;4*1H4.

What are the key properties of 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane?

1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane has a molecular weight of 355.61 g/mol, XLogP of 2.33, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane is sourced from PubChem (CID 159659020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).