2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide

C12H25N3O — CID 63762840

IUPAC2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1CCCC1CCCN
InChIInChI=1S/C12H25N3O/c1-3-14-12(16)10(2)15-9-5-7-11(15)6-4-8-13/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeySGRSWVBXTZSXTN-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds6

About 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide

2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide (PubChem CID 63762840) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide
PubChem CID63762840
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1CCCC1CCCN
InChIInChI=1S/C12H25N3O/c1-3-14-12(16)10(2)15-9-5-7-11(15)6-4-8-13/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeySGRSWVBXTZSXTN-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
CID 55243368
N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide
CID 55243556
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63758968
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63759350
2-[2-(aminomethyl)azepan-1-yl]-N-pentylpropanamide
CID 116640455
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63760320
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 62469409
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 114802683
N-butyl-2-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539809

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide?
The IUPAC name of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide (CID 63762840) is 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide?
The canonical SMILES for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide is CCNC(=O)C(C)N1CCCC1CCCN.
What is the InChIKey of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide?
The InChIKey is SGRSWVBXTZSXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-14-12(16)10(2)15-9-5-7-11(15)6-4-8-13/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide?
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 63762840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).