3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol

C10H21NO2 — CID 103377213

IUPAC3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol
SMILESCC(O)C(C)OC(C)(CN)C1CC1
InChIInChI=1S/C10H21NO2/c1-7(12)8(2)13-10(3,6-11)9-4-5-9/h7-9,12H,4-6,11H2,1-3H3
InChIKeyMMEUVELSSQEPSM-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.90
Rot. Bonds5

About 3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol

3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol (PubChem CID 103377213) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol.

Molecular Properties

Compound Name3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol
PubChem CID103377213
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol
SMILESCC(O)C(C)OC(C)(CN)C1CC1
InChIInChI=1S/C10H21NO2/c1-7(12)8(2)13-10(3,6-11)9-4-5-9/h7-9,12H,4-6,11H2,1-3H3
InChIKeyMMEUVELSSQEPSM-UHFFFAOYSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol?
The IUPAC name of 3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol (CID 103377213) is 3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol.
What is the SMILES notation for 3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol?
The canonical SMILES for 3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol is CC(O)C(C)OC(C)(CN)C1CC1.
What is the InChIKey of 3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol?
The InChIKey is MMEUVELSSQEPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(12)8(2)13-10(3,6-11)9-4-5-9/h7-9,12H,4-6,11H2,1-3H3.
What are the key properties of 3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol?
3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-cyclopropylpropan-2-yl)oxybutan-2-ol is sourced from PubChem (CID 103377213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).