2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine

C17H37NO3 — CID 130252040

IUPAC2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine
SMILESCC(CN)OCC(C)OCC(C)OC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H37NO3/c1-13(9-18)19-10-14(2)20-11-15(3)21-17(7,8)12-16(4,5)6/h13-15H,9-12,18H2,1-8H3
InChIKeyYDVKHZNLXXUQPG-UHFFFAOYSA-N
MW303.49 g/mol
LogP3.38
Rot. Bonds10

About 2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine

2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine (PubChem CID 130252040) has the molecular formula C17H37NO3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine.

Molecular Properties

Compound Name2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine
PubChem CID130252040
Molecular FormulaC17H37NO3
Molecular Weight303.49 g/mol
Exact Mass303.28
IUPAC Name2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine
SMILESCC(CN)OCC(C)OCC(C)OC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H37NO3/c1-13(9-18)19-10-14(2)20-11-15(3)21-17(7,8)12-16(4,5)6/h13-15H,9-12,18H2,1-8H3
InChIKeyYDVKHZNLXXUQPG-UHFFFAOYSA-N
XLogP3.38
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine?
The IUPAC name of 2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine (CID 130252040) is 2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine.
What is the SMILES notation for 2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine?
The canonical SMILES for 2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine is CC(CN)OCC(C)OCC(C)OC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine?
The InChIKey is YDVKHZNLXXUQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO3/c1-13(9-18)19-10-14(2)20-11-15(3)21-17(7,8)12-16(4,5)6/h13-15H,9-12,18H2,1-8H3.
What are the key properties of 2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine?
2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine has a molecular weight of 303.49 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,4,4-trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine is sourced from PubChem (CID 130252040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).