3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine

C17H29N3O — CID 81035394

IUPAC3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine
SMILESCCOCCN(C)C1(CN)CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H29N3O/c1-3-21-12-11-19(2)17(14-18)9-10-20(15-17)13-16-7-5-4-6-8-16/h4-8H,3,9-15,18H2,1-2H3
InChIKeyOKAGPVCSVMBKAU-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.56
Rot. Bonds8

About 3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine

3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine (PubChem CID 81035394) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine
PubChem CID81035394
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine
SMILESCCOCCN(C)C1(CN)CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H29N3O/c1-3-21-12-11-19(2)17(14-18)9-10-20(15-17)13-16-7-5-4-6-8-16/h4-8H,3,9-15,18H2,1-2H3
InChIKeyOKAGPVCSVMBKAU-UHFFFAOYSA-N
XLogP1.56
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine (CID 81035394) is 3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine is CCOCCN(C)C1(CN)CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine?
The InChIKey is OKAGPVCSVMBKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-21-12-11-19(2)17(14-18)9-10-20(15-17)13-16-7-5-4-6-8-16/h4-8H,3,9-15,18H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine?
3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 81035394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).