N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine

C₁₀H₂₂N₂O₂ — CID 106115119

About N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine

N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine (PubChem CID 106115119) has the molecular formula C₁₀H₂₂N₂O₂ and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine.

Molecular Properties

• Compound Name: N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine
• PubChem CID: 106115119
• Molecular Formula: C₁₀H₂₂N₂O₂
• Molecular Weight: 202.30 g/mol
• Exact Mass: 202.17
• IUPAC Name: N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine
• SMILES: COC(CN)CNC1(C)CCOC1C
• InChI: InChI=1S/C10H22N2O2/c1-8-10(2,4-5-14-8)12-7-9(6-11)13-3/h8-9,12H,4-7,11H2,1-3H3
• InChIKey: ZCVLQWFWUCKBKZ-UHFFFAOYSA-N
• XLogP: 0.12
• TPSA: 56.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	202.30
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine?

The IUPAC name of N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine (CID 106115119) is N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine.

What is the SMILES notation for N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine?

The canonical SMILES for N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine is COC(CN)CNC1(C)CCOC1C.

What is the InChIKey of N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine?

The InChIKey is ZCVLQWFWUCKBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8-10(2,4-5-14-8)12-7-9(6-11)13-3/h8-9,12H,4-7,11H2,1-3H3.

What are the key properties of N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine?

N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine has a molecular weight of 202.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine is sourced from PubChem (CID 106115119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106115119 — identifiers, structure, computed properties (public domain)

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