2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol

C7H16N2O — CID 11480513

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol
SMILESNCC1CCCN1CCO
InChIInChI=1S/C7H16N2O/c8-6-7-2-1-3-9(7)4-5-10/h7,10H,1-6,8H2
InChIKeyJQXLWCCKZDDEMZ-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.60
Rot. Bonds3

About 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol

2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol (PubChem CID 11480513) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol
PubChem CID11480513
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol
SMILESNCC1CCCN1CCO
InChIInChI=1S/C7H16N2O/c8-6-7-2-1-3-9(7)4-5-10/h7,10H,1-6,8H2
InChIKeyJQXLWCCKZDDEMZ-UHFFFAOYSA-N
XLogP-0.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol (CID 11480513) is 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol is NCC1CCCN1CCO.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is JQXLWCCKZDDEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c8-6-7-2-1-3-9(7)4-5-10/h7,10H,1-6,8H2.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol?
2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 144.22 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 11480513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).