2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone

C20H39NO2 — CID 143045135

IUPAC2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone
SMILESCC.CC(C)(N)CO.CCC.CCCc1ccc(C(C)=O)cc1
InChIInChI=1S/C11H14O.C4H11NO.C3H8.C2H6/c1-3-4-10-5-7-11(8-6-10)9(2)12;1-4(2,5)3-6;1-3-2;1-2/h5-8H,3-4H2,1-2H3;6H,3,5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyOOJLCUWJDGDJLD-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.00
Rot. Bonds4

About 2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone

2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone (PubChem CID 143045135) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone
PubChem CID143045135
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone
SMILESCC.CC(C)(N)CO.CCC.CCCc1ccc(C(C)=O)cc1
InChIInChI=1S/C11H14O.C4H11NO.C3H8.C2H6/c1-3-4-10-5-7-11(8-6-10)9(2)12;1-4(2,5)3-6;1-3-2;1-2/h5-8H,3-4H2,1-2H3;6H,3,5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyOOJLCUWJDGDJLD-UHFFFAOYSA-N
XLogP5.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone?
The IUPAC name of 2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone (CID 143045135) is 2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone is CC.CC(C)(N)CO.CCC.CCCc1ccc(C(C)=O)cc1.
What is the InChIKey of 2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone?
The InChIKey is OOJLCUWJDGDJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C4H11NO.C3H8.C2H6/c1-3-4-10-5-7-11(8-6-10)9(2)12;1-4(2,5)3-6;1-3-2;1-2/h5-8H,3-4H2,1-2H3;6H,3,5H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone?
2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone has a molecular weight of 325.54 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropan-1-ol;ethane;propane;1-(4-propylphenyl)ethanone is sourced from PubChem (CID 143045135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).