2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol

C8H19NO2 — CID 103376721

IUPAC2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol
SMILESCC(C)(C)C(CN)OCCO
InChIInChI=1S/C8H19NO2/c1-8(2,3)7(6-9)11-5-4-10/h7,10H,4-6,9H2,1-3H3
InChIKeyGLFMLZZHNCKTPD-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.37
Rot. Bonds4

About 2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol

2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol (PubChem CID 103376721) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol.

Molecular Properties

Compound Name2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol
PubChem CID103376721
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol
SMILESCC(C)(C)C(CN)OCCO
InChIInChI=1S/C8H19NO2/c1-8(2,3)7(6-9)11-5-4-10/h7,10H,4-6,9H2,1-3H3
InChIKeyGLFMLZZHNCKTPD-UHFFFAOYSA-N
XLogP0.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol?
The IUPAC name of 2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol (CID 103376721) is 2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol.
What is the SMILES notation for 2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol?
The canonical SMILES for 2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol is CC(C)(C)C(CN)OCCO.
What is the InChIKey of 2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol?
The InChIKey is GLFMLZZHNCKTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-8(2,3)7(6-9)11-5-4-10/h7,10H,4-6,9H2,1-3H3.
What are the key properties of 2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol?
2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol has a molecular weight of 161.24 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3,3-dimethylbutan-2-yl)oxyethanol is sourced from PubChem (CID 103376721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).