2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine

C17H28N2O — CID 62918388

IUPAC2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
SMILESCCNCC(CC)OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-3-16(12-18-4-2)20-17-10-11-19(14-17)13-15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14H2,1-2H3
InChIKeyMDUMZZRBVKTEOU-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.67
Rot. Bonds8

About 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine

2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine (PubChem CID 62918388) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
PubChem CID62918388
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
SMILESCCNCC(CC)OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-3-16(12-18-4-2)20-17-10-11-19(14-17)13-15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14H2,1-2H3
InChIKeyMDUMZZRBVKTEOU-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine
CID 103228667
4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
CID 62918214
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
CID 62918386
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
1-benzyl-3-ethylpyrrolidine
CID 12648208
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine?
The IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine (CID 62918388) is 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine?
The canonical SMILES for 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine is CCNCC(CC)OC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine?
The InChIKey is MDUMZZRBVKTEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-16(12-18-4-2)20-17-10-11-19(14-17)13-15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14H2,1-2H3.
What are the key properties of 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine?
2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine is sourced from PubChem (CID 62918388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).