2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol

C9H20N2O — CID 59682590

IUPAC2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol
SMILESCC(C)N1CCC(NCCO)C1
InChIInChI=1S/C9H20N2O/c1-8(2)11-5-3-9(7-11)10-4-6-12/h8-10,12H,3-7H2,1-2H3
InChIKeyIMESLPVCZBPXPV-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds4

About 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol

2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol (PubChem CID 59682590) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol
PubChem CID59682590
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol
SMILESCC(C)N1CCC(NCCO)C1
InChIInChI=1S/C9H20N2O/c1-8(2)11-5-3-9(7-11)10-4-6-12/h8-10,12H,3-7H2,1-2H3
InChIKeyIMESLPVCZBPXPV-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol (CID 59682590) is 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol is CC(C)N1CCC(NCCO)C1.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol?
The InChIKey is IMESLPVCZBPXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)11-5-3-9(7-11)10-4-6-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol?
2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]ethanol is sourced from PubChem (CID 59682590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).