2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide

C13H25N3O — CID 78953701

IUPAC2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
SMILESCC(C)(C)NCC(=O)NC1CCN2CCCC12
InChIInChI=1S/C13H25N3O/c1-13(2,3)14-9-12(17)15-10-6-8-16-7-4-5-11(10)16/h10-11,14H,4-9H2,1-3H3,(H,15,17)
InChIKeyPDYYCHLFSNMDRT-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds3

About 2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide

2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide (PubChem CID 78953701) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
PubChem CID78953701
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
SMILESCC(C)(C)NCC(=O)NC1CCN2CCCC12
InChIInChI=1S/C13H25N3O/c1-13(2,3)14-9-12(17)15-10-6-8-16-7-4-5-11(10)16/h10-11,14H,4-9H2,1-3H3,(H,15,17)
InChIKeyPDYYCHLFSNMDRT-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 60868335
1-tert-butyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)urea
CID 115585906
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide
CID 79282045
N-[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]propanamide
CID 71665848
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide
CID 61264414
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide
CID 62836029
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
2-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569486
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide
CID 62832914
2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide
CID 113228751
2-(tert-butylamino)-N-(2-methylcyclopentyl)acetamide
CID 78942036

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide (CID 78953701) is 2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide is CC(C)(C)NCC(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The InChIKey is PDYYCHLFSNMDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,3)14-9-12(17)15-10-6-8-16-7-4-5-11(10)16/h10-11,14H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide is sourced from PubChem (CID 78953701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).