3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine

C17H28N2O — CID 79626908

IUPAC3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)COC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-17(2,13-18-3)14-20-16-9-10-19(12-16)11-15-7-5-4-6-8-15/h4-8,16,18H,9-14H2,1-3H3
InChIKeyYIACIVYKOLWHIH-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.52
Rot. Bonds7

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

3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine (PubChem CID 79626908) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine
PubChem CID79626908
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)COC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-17(2,13-18-3)14-20-16-9-10-19(12-16)11-15-7-5-4-6-8-15/h4-8,16,18H,9-14H2,1-3H3
InChIKeyYIACIVYKOLWHIH-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
CID 62918386
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
CID 62918214
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-ethoxypyrrolidin-3-amine
CID 82709325
(1-benzylpyrrolidin-3-yl) sulfite
CID 91372704

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine (CID 79626908) is 3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine is CNCC(C)(C)COC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine?
The InChIKey is YIACIVYKOLWHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,13-18-3)14-20-16-9-10-19(12-16)11-15-7-5-4-6-8-15/h4-8,16,18H,9-14H2,1-3H3.
What are the key properties of 3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine?
3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 79626908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).