3-(2-amino-1-cyclopropylethoxy)butan-2-ol

C9H19NO2 — CID 103377154

IUPAC3-(2-amino-1-cyclopropylethoxy)butan-2-ol
SMILESCC(O)C(C)OC(CN)C1CC1
InChIInChI=1S/C9H19NO2/c1-6(11)7(2)12-9(5-10)8-3-4-8/h6-9,11H,3-5,10H2,1-2H3
InChIKeyBIWAHGPZVQDYKV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.51
Rot. Bonds5

About 3-(2-amino-1-cyclopropylethoxy)butan-2-ol

3-(2-amino-1-cyclopropylethoxy)butan-2-ol (PubChem CID 103377154) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(2-amino-1-cyclopropylethoxy)butan-2-ol.

Molecular Properties

Compound Name3-(2-amino-1-cyclopropylethoxy)butan-2-ol
PubChem CID103377154
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(2-amino-1-cyclopropylethoxy)butan-2-ol
SMILESCC(O)C(C)OC(CN)C1CC1
InChIInChI=1S/C9H19NO2/c1-6(11)7(2)12-9(5-10)8-3-4-8/h6-9,11H,3-5,10H2,1-2H3
InChIKeyBIWAHGPZVQDYKV-UHFFFAOYSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-cyclopropylethoxy)butan-2-ol?
The IUPAC name of 3-(2-amino-1-cyclopropylethoxy)butan-2-ol (CID 103377154) is 3-(2-amino-1-cyclopropylethoxy)butan-2-ol.
What is the SMILES notation for 3-(2-amino-1-cyclopropylethoxy)butan-2-ol?
The canonical SMILES for 3-(2-amino-1-cyclopropylethoxy)butan-2-ol is CC(O)C(C)OC(CN)C1CC1.
What is the InChIKey of 3-(2-amino-1-cyclopropylethoxy)butan-2-ol?
The InChIKey is BIWAHGPZVQDYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(11)7(2)12-9(5-10)8-3-4-8/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 3-(2-amino-1-cyclopropylethoxy)butan-2-ol?
3-(2-amino-1-cyclopropylethoxy)butan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-cyclopropylethoxy)butan-2-ol is sourced from PubChem (CID 103377154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).