2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol

C10H22N2O — CID 23009456

IUPAC2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol
SMILESCCN1CCC(CC(CN)CO)C1
InChIInChI=1S/C10H22N2O/c1-2-12-4-3-9(7-12)5-10(6-11)8-13/h9-10,13H,2-8,11H2,1H3
InChIKeyIQCDCLUBVVLWKT-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.29
Rot. Bonds5

About 2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol

2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol (PubChem CID 23009456) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol
PubChem CID23009456
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol
SMILESCCN1CCC(CC(CN)CO)C1
InChIInChI=1S/C10H22N2O/c1-2-12-4-3-9(7-12)5-10(6-11)8-13/h9-10,13H,2-8,11H2,1H3
InChIKeyIQCDCLUBVVLWKT-UHFFFAOYSA-N
XLogP0.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol (CID 23009456) is 2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol is CCN1CCC(CC(CN)CO)C1.
What is the InChIKey of 2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol?
The InChIKey is IQCDCLUBVVLWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-12-4-3-9(7-12)5-10(6-11)8-13/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol?
2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1-ethylpyrrolidin-3-yl)propan-1-ol is sourced from PubChem (CID 23009456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).