ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol

C12H29NO2 — CID 145052445

IUPACethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol
SMILESCC.CCCC(C)OCC(O)CNCC
InChIInChI=1S/C10H23NO2.C2H6/c1-4-6-9(3)13-8-10(12)7-11-5-2;1-2/h9-12H,4-8H2,1-3H3;1-2H3
InChIKeyPELBQXQWTDOUQG-UHFFFAOYSA-N
MW219.37 g/mol
LogP2.19
Rot. Bonds8

About ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol

ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol (PubChem CID 145052445) has the molecular formula C12H29NO2 and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol.

Molecular Properties

Compound Nameethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol
PubChem CID145052445
Molecular FormulaC12H29NO2
Molecular Weight219.37 g/mol
Exact Mass219.22
IUPAC Nameethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol
SMILESCC.CCCC(C)OCC(O)CNCC
InChIInChI=1S/C10H23NO2.C2H6/c1-4-6-9(3)13-8-10(12)7-11-5-2;1-2/h9-12H,4-8H2,1-3H3;1-2H3
InChIKeyPELBQXQWTDOUQG-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol?
The IUPAC name of ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol (CID 145052445) is ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol.
What is the SMILES notation for ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol?
The canonical SMILES for ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol is CC.CCCC(C)OCC(O)CNCC.
What is the InChIKey of ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol?
The InChIKey is PELBQXQWTDOUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2.C2H6/c1-4-6-9(3)13-8-10(12)7-11-5-2;1-2/h9-12H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol?
ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol has a molecular weight of 219.37 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(ethylamino)-3-pentan-2-yloxypropan-2-ol is sourced from PubChem (CID 145052445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).