2-amino-2-ethylbutan-1-ol;2H-benzotriazole

C12H20N4O — CID 22987674

IUPAC2-amino-2-ethylbutan-1-ol;2H-benzotriazole
SMILESCCC(N)(CC)CO.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.C6H15NO/c1-2-4-6-5(3-1)7-9-8-6;1-3-6(7,4-2)5-8/h1-4H,(H,7,8,9);8H,3-5,7H2,1-2H3
InChIKeyYOTBIQNNLTZKEM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.45
Rot. Bonds3

About 2-amino-2-ethylbutan-1-ol;2H-benzotriazole

2-amino-2-ethylbutan-1-ol;2H-benzotriazole (PubChem CID 22987674) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-2-ethylbutan-1-ol;2H-benzotriazole.

Molecular Properties

Compound Name2-amino-2-ethylbutan-1-ol;2H-benzotriazole
PubChem CID22987674
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-amino-2-ethylbutan-1-ol;2H-benzotriazole
SMILESCCC(N)(CC)CO.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.C6H15NO/c1-2-4-6-5(3-1)7-9-8-6;1-3-6(7,4-2)5-8/h1-4H,(H,7,8,9);8H,3-5,7H2,1-2H3
InChIKeyYOTBIQNNLTZKEM-UHFFFAOYSA-N
XLogP1.45
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethylbutan-1-ol;2H-benzotriazole?
The IUPAC name of 2-amino-2-ethylbutan-1-ol;2H-benzotriazole (CID 22987674) is 2-amino-2-ethylbutan-1-ol;2H-benzotriazole.
What is the SMILES notation for 2-amino-2-ethylbutan-1-ol;2H-benzotriazole?
The canonical SMILES for 2-amino-2-ethylbutan-1-ol;2H-benzotriazole is CCC(N)(CC)CO.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2-amino-2-ethylbutan-1-ol;2H-benzotriazole?
The InChIKey is YOTBIQNNLTZKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.C6H15NO/c1-2-4-6-5(3-1)7-9-8-6;1-3-6(7,4-2)5-8/h1-4H,(H,7,8,9);8H,3-5,7H2,1-2H3.
What are the key properties of 2-amino-2-ethylbutan-1-ol;2H-benzotriazole?
2-amino-2-ethylbutan-1-ol;2H-benzotriazole has a molecular weight of 236.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethylbutan-1-ol;2H-benzotriazole is sourced from PubChem (CID 22987674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).