N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide

C9H19N3O — CID 61366460

IUPACN-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
SMILESNCCCNC(=O)CC1CCCN1
InChIInChI=1S/C9H19N3O/c10-4-2-6-12-9(13)7-8-3-1-5-11-8/h8,11H,1-7,10H2,(H,12,13)
InChIKeyILWGLWCSDGQUFU-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.41
Rot. Bonds5

About N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide

N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61366460) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
PubChem CID61366460
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
SMILESNCCCNC(=O)CC1CCCN1
InChIInChI=1S/C9H19N3O/c10-4-2-6-12-9(13)7-8-3-1-5-11-8/h8,11H,1-7,10H2,(H,12,13)
InChIKeyILWGLWCSDGQUFU-UHFFFAOYSA-N
XLogP-0.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580
2-pyrrolidin-2-yl-N-(2-sulfamoylethyl)acetamide
CID 61371209
N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide
CID 119748283
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888
N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide
CID 115739238
N-(2-cyclohexylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119725744
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 106310786
N-cyclopropyl-4-[(2-piperidin-2-ylacetyl)amino]butanamide
CID 79400638
N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119693624

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide (CID 61366460) is N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide is NCCCNC(=O)CC1CCCN1.
What is the InChIKey of N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is ILWGLWCSDGQUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-4-2-6-12-9(13)7-8-3-1-5-11-8/h8,11H,1-7,10H2,(H,12,13).
What are the key properties of N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide?
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 185.27 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61366460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).