N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide

C14H29N3O — CID 83228224

IUPACN-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide
SMILESCCC1CCC(C)N1CCC(=O)N(C)CCCN
InChIInChI=1S/C14H29N3O/c1-4-13-7-6-12(2)17(13)11-8-14(18)16(3)10-5-9-15/h12-13H,4-11,15H2,1-3H3
InChIKeyXFSVXGOXWHGFOV-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds7

About N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide

N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide (PubChem CID 83228224) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide
PubChem CID83228224
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide
SMILESCCC1CCC(C)N1CCC(=O)N(C)CCCN
InChIInChI=1S/C14H29N3O/c1-4-13-7-6-12(2)17(13)11-8-14(18)16(3)10-5-9-15/h12-13H,4-11,15H2,1-3H3
InChIKeyXFSVXGOXWHGFOV-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3-(2,4-dimethylpiperidin-1-yl)-N-methylpropanamide
CID 62329775
N-(3-aminopropyl)-3-[3-(diethylamino)pyrrolidin-1-yl]-N-methylpropanamide
CID 63172162
ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate
CID 83221351
4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid
CID 83220649
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine
CID 83218882
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83221433
N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide
CID 62884866
N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 82855691
N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide
CID 43581216
N-(3-aminopropyl)-N-methyl-2-(2-methylpyrrolidin-1-yl)acetamide
CID 60973784
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid
CID 83221596
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide (CID 83228224) is N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide is CCC1CCC(C)N1CCC(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide?
The InChIKey is XFSVXGOXWHGFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-13-7-6-12(2)17(13)11-8-14(18)16(3)10-5-9-15/h12-13H,4-11,15H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide?
N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 83228224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).