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

C13H25N3O — CID 55243175

IUPAC3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide
SMILESNCCCC1CCCN1CCC(=O)NC1CC1
InChIInChI=1S/C13H25N3O/c14-8-1-3-12-4-2-9-16(12)10-7-13(17)15-11-5-6-11/h11-12H,1-10,14H2,(H,15,17)
InChIKeyJVTIDBRKBWSHGU-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.86
Rot. Bonds7

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

3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide (PubChem CID 55243175) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide
PubChem CID55243175
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide
SMILESNCCCC1CCCN1CCC(=O)NC1CC1
InChIInChI=1S/C13H25N3O/c14-8-1-3-12-4-2-9-16(12)10-7-13(17)15-11-5-6-11/h11-12H,1-10,14H2,(H,15,17)
InChIKeyJVTIDBRKBWSHGU-UHFFFAOYSA-N
XLogP0.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 63763550
2-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 63767696
N-cyclopropyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79536206
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62468873
3-(1-pentylpyrrolidin-2-yl)propan-1-amine
CID 63762476
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 55243358
N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78942125
N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95147558
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide
CID 66217317
3-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]propan-1-amine
CID 63762474
N-cyclopropyl-3-(2-piperidin-4-ylpyrrolidin-1-yl)propanamide
CID 66271525

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide (CID 55243175) is 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide is NCCCC1CCCN1CCC(=O)NC1CC1.
What is the InChIKey of 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is JVTIDBRKBWSHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-8-1-3-12-4-2-9-16(12)10-7-13(17)15-11-5-6-11/h11-12H,1-10,14H2,(H,15,17).
What are the key properties of 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide?
3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 55243175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).