N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide

C12H23N3O — CID 62836029

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C12H23N3O/c1-12(2,13-3)11(16)14-9-6-8-15-7-4-5-10(9)15/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyIGXFZZFEGZZMIX-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.34
Rot. Bonds3

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide (PubChem CID 62836029) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide
PubChem CID62836029
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C12H23N3O/c1-12(2,13-3)11(16)14-9-6-8-15-7-4-5-10(9)15/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyIGXFZZFEGZZMIX-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide
CID 61264414
1-tert-butyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)urea
CID 115585906
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 78953701
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide
CID 43695810
2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76921626
N-(1-cyclopropylpiperidin-4-yl)-2-methyl-2-(methylamino)propanamide
CID 62847423
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-2-sulfanylbutanamide
CID 107025889
2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid
CID 54967756

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide (CID 62836029) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NC1CCN2CCCC12.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is IGXFZZFEGZZMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,13-3)11(16)14-9-6-8-15-7-4-5-10(9)15/h9-10,13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 225.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62836029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).