3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol

C11H24N2O — CID 104523176

IUPAC3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(CN)N1CCCC1CCCO
InChIInChI=1S/C11H24N2O/c1-11(2,9-12)13-7-3-5-10(13)6-4-8-14/h10,14H,3-9,12H2,1-2H3
InChIKeyZYTZADSVKHHRET-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.96
Rot. Bonds5

About 3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 104523176) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID104523176
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(CN)N1CCCC1CCCO
InChIInChI=1S/C11H24N2O/c1-11(2,9-12)13-7-3-5-10(13)6-4-8-14/h10,14H,3-9,12H2,1-2H3
InChIKeyZYTZADSVKHHRET-UHFFFAOYSA-N
XLogP0.96
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol (CID 104523176) is 3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol is CC(C)(CN)N1CCCC1CCCO.
What is the InChIKey of 3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ZYTZADSVKHHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,9-12)13-7-3-5-10(13)6-4-8-14/h10,14H,3-9,12H2,1-2H3.
What are the key properties of 3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 104523176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).