2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide

C11H23N3O2 — CID 63760320

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CCCC1CN
InChIInChI=1S/C11H23N3O2/c1-9(11(15)13-5-7-16-2)14-6-3-4-10(14)8-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyWNMDPANZSYNUBB-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.44
Rot. Bonds6

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 63760320) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID63760320
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CCCC1CN
InChIInChI=1S/C11H23N3O2/c1-9(11(15)13-5-7-16-2)14-6-3-4-10(14)8-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyWNMDPANZSYNUBB-UHFFFAOYSA-N
XLogP-0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63759350
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63758968
tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537691
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
2-[2-(aminomethyl)azepan-1-yl]-N-pentylpropanamide
CID 116640455
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 63762840
N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-(2-methoxyethyl)propanamide
CID 81218040
N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63848663
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 63760688
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide (CID 63760320) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N1CCCC1CN.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is WNMDPANZSYNUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(11(15)13-5-7-16-2)14-6-3-4-10(14)8-12/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 229.32 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 63760320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).