3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol

C11H23NO2 — CID 103377136

IUPAC3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol
SMILESCC(O)C(C)OC(C)(CN)CC1CC1
InChIInChI=1S/C11H23NO2/c1-8(13)9(2)14-11(3,7-12)6-10-4-5-10/h8-10,13H,4-7,12H2,1-3H3
InChIKeyRSEQHWBVNPRUKS-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.29
Rot. Bonds6

About 3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol

3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol (PubChem CID 103377136) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol.

Molecular Properties

Compound Name3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol
PubChem CID103377136
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol
SMILESCC(O)C(C)OC(C)(CN)CC1CC1
InChIInChI=1S/C11H23NO2/c1-8(13)9(2)14-11(3,7-12)6-10-4-5-10/h8-10,13H,4-7,12H2,1-3H3
InChIKeyRSEQHWBVNPRUKS-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol?
The IUPAC name of 3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol (CID 103377136) is 3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol.
What is the SMILES notation for 3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol?
The canonical SMILES for 3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol is CC(O)C(C)OC(C)(CN)CC1CC1.
What is the InChIKey of 3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol?
The InChIKey is RSEQHWBVNPRUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(13)9(2)14-11(3,7-12)6-10-4-5-10/h8-10,13H,4-7,12H2,1-3H3.
What are the key properties of 3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol?
3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)oxybutan-2-ol is sourced from PubChem (CID 103377136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).