1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine

C15H31NO3 — CID 123643282

IUPAC1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine
SMILESC=C(C)C(C)COCC(C)OCC(C)OCC(C)N
InChIInChI=1S/C15H31NO3/c1-11(2)12(3)7-17-9-14(5)19-10-15(6)18-8-13(4)16/h12-15H,1,7-10,16H2,2-6H3
InChIKeyBEWHQGXRKQHETH-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.37
Rot. Bonds11

About 1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine

1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine (PubChem CID 123643282) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine.

Molecular Properties

Compound Name1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine
PubChem CID123643282
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine
SMILESC=C(C)C(C)COCC(C)OCC(C)OCC(C)N
InChIInChI=1S/C15H31NO3/c1-11(2)12(3)7-17-9-14(5)19-10-15(6)18-8-13(4)16/h12-15H,1,7-10,16H2,2-6H3
InChIKeyBEWHQGXRKQHETH-UHFFFAOYSA-N
XLogP2.37
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine?
The IUPAC name of 1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine (CID 123643282) is 1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine.
What is the SMILES notation for 1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine?
The canonical SMILES for 1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine is C=C(C)C(C)COCC(C)OCC(C)OCC(C)N.
What is the InChIKey of 1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine?
The InChIKey is BEWHQGXRKQHETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-11(2)12(3)7-17-9-14(5)19-10-15(6)18-8-13(4)16/h12-15H,1,7-10,16H2,2-6H3.
What are the key properties of 1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine?
1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,3-dimethylbut-3-enoxy)propan-2-yloxy]propan-2-yloxy]propan-2-amine is sourced from PubChem (CID 123643282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).