2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol

C12H25NO3 — CID 64810792

IUPAC2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol
SMILESCCNC(C)(CO)CCOC1CCOCC1
InChIInChI=1S/C12H25NO3/c1-3-13-12(2,10-14)6-9-16-11-4-7-15-8-5-11/h11,13-14H,3-10H2,1-2H3
InChIKeyGHEZCJRFSBKPLU-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.93
Rot. Bonds7

About 2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol

2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol (PubChem CID 64810792) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol
PubChem CID64810792
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol
SMILESCCNC(C)(CO)CCOC1CCOCC1
InChIInChI=1S/C12H25NO3/c1-3-13-12(2,10-14)6-9-16-11-4-7-15-8-5-11/h11,13-14H,3-10H2,1-2H3
InChIKeyGHEZCJRFSBKPLU-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol (CID 64810792) is 2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol is CCNC(C)(CO)CCOC1CCOCC1.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol?
The InChIKey is GHEZCJRFSBKPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-13-12(2,10-14)6-9-16-11-4-7-15-8-5-11/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol?
2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol is sourced from PubChem (CID 64810792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).