(2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol

C10H22N2O2 — CID 163892499

IUPAC(2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol
SMILESCN1CCC(NC(O)OC(C)(C)C)C1
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)11-8-5-6-12(4)7-8/h8-9,11,13H,5-7H2,1-4H3
InChIKeyQCTFSHDQBTUXCG-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.37
Rot. Bonds3

About (2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol

(2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol (PubChem CID 163892499) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol
PubChem CID163892499
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol
SMILESCN1CCC(NC(O)OC(C)(C)C)C1
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)11-8-5-6-12(4)7-8/h8-9,11,13H,5-7H2,1-4H3
InChIKeyQCTFSHDQBTUXCG-UHFFFAOYSA-N
XLogP0.37
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol?
The IUPAC name of (2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol (CID 163892499) is (2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol.
What is the SMILES notation for (2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol?
The canonical SMILES for (2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol is CN1CCC(NC(O)OC(C)(C)C)C1.
What is the InChIKey of (2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol?
The InChIKey is QCTFSHDQBTUXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)11-8-5-6-12(4)7-8/h8-9,11,13H,5-7H2,1-4H3.
What are the key properties of (2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol?
(2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol has a molecular weight of 202.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol is sourced from PubChem (CID 163892499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).