4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine

C17H28N2O — CID 62918214

IUPAC4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
SMILESCCNCCCCOC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-2-18-11-6-7-13-20-17-10-12-19(15-17)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3
InChIKeyRYAAKXZODIGXDN-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.67
Rot. Bonds9

About 4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine

4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine (PubChem CID 62918214) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
PubChem CID62918214
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
SMILESCCNCCCCOC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-2-18-11-6-7-13-20-17-10-12-19(15-17)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3
InChIKeyRYAAKXZODIGXDN-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
CID 62918386
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
CID 62918388
2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine
CID 103228667
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1,3-diethylguanidine
CID 111752012
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
1-benzyl-N-ethoxypyrrolidin-3-amine
CID 82709325
3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine
CID 79626908
2-(1-benzylpiperidin-3-yl)oxyethanol
CID 66563831
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine?
The IUPAC name of 4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine (CID 62918214) is 4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine.
What is the SMILES notation for 4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine?
The canonical SMILES for 4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine is CCNCCCCOC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine?
The InChIKey is RYAAKXZODIGXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-18-11-6-7-13-20-17-10-12-19(15-17)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3.
What are the key properties of 4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine?
4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine is sourced from PubChem (CID 62918214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).