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

C13H25N3O — CID 55243358

IUPAC2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESNCCCC1CCCN1CC(=O)NCC1CC1
InChIInChI=1S/C13H25N3O/c14-7-1-3-12-4-2-8-16(12)10-13(17)15-9-11-5-6-11/h11-12H,1-10,14H2,(H,15,17)
InChIKeySLZVDDOJMRMISE-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.72
Rot. Bonds7

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

2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 55243358) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID55243358
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESNCCCC1CCCN1CC(=O)NCC1CC1
InChIInChI=1S/C13H25N3O/c14-7-1-3-12-4-2-8-16(12)10-13(17)15-9-11-5-6-11/h11-12H,1-10,14H2,(H,15,17)
InChIKeySLZVDDOJMRMISE-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
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
3-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropylpropanamide
CID 55243175
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 55243372
N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 55076268
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
2-(3-aminopropylsulfanyl)-N-(cyclopropylmethyl)acetamide
CID 66219314
methyl 4-[[2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 94449392
3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide
CID 120967162
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 79735210
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide
CID 115312682
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63760086
4-amino-N-(cyclopentylmethyl)butanamide
CID 43371168

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide (CID 55243358) is 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide is NCCCC1CCCN1CC(=O)NCC1CC1.
What is the InChIKey of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is SLZVDDOJMRMISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-7-1-3-12-4-2-8-16(12)10-13(17)15-9-11-5-6-11/h11-12H,1-10,14H2,(H,15,17).
What are the key properties of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.72, 7 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-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 55243358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).