2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol

C17H26N2O — CID 66565065

IUPAC2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol
SMILESOCCN(CC1CCCN1Cc1ccccc1)C1CC1
InChIInChI=1S/C17H26N2O/c20-12-11-19(16-8-9-16)14-17-7-4-10-18(17)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2
InChIKeyHDYFYZOEHXYRNR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.11
Rot. Bonds7

About 2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol

2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol (PubChem CID 66565065) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol
PubChem CID66565065
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol
SMILESOCCN(CC1CCCN1Cc1ccccc1)C1CC1
InChIInChI=1S/C17H26N2O/c20-12-11-19(16-8-9-16)14-17-7-4-10-18(17)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2
InChIKeyHDYFYZOEHXYRNR-UHFFFAOYSA-N
XLogP2.11
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid
CID 96552797
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
CID 96552834
benzyl (2S)-2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564329
N-[(1-benzylpyrrolidin-2-yl)methyl]-N-methylcarbamoyl chloride
CID 82379734
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
(2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide
CID 96553072
2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-methylpropanamide
CID 121226071
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
1-benzyl-2-(nitromethyl)pyrrolidine
CID 25198322
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2-chloro-N-propan-2-ylacetamide
CID 96552886

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol (CID 66565065) is 2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol is OCCN(CC1CCCN1Cc1ccccc1)C1CC1.
What is the InChIKey of 2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol?
The InChIKey is HDYFYZOEHXYRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-12-11-19(16-8-9-16)14-17-7-4-10-18(17)13-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2.
What are the key properties of 2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol?
2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol has a molecular weight of 274.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol is sourced from PubChem (CID 66565065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).