4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide

C14H29N3O — CID 83221430

IUPAC4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide
SMILESCCCNC(CCN1C(C)CCC1CC)C(N)=O
InChIInChI=1S/C14H29N3O/c1-4-9-16-13(14(15)18)8-10-17-11(3)6-7-12(17)5-2/h11-13,16H,4-10H2,1-3H3,(H2,15,18)
InChIKeyWRXRUIQPHJSKPG-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.49
Rot. Bonds8

About 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide

4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide (PubChem CID 83221430) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide
PubChem CID83221430
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide
SMILESCCCNC(CCN1C(C)CCC1CC)C(N)=O
InChIInChI=1S/C14H29N3O/c1-4-9-16-13(14(15)18)8-10-17-11(3)6-7-12(17)5-2/h11-13,16H,4-10H2,1-3H3,(H2,15,18)
InChIKeyWRXRUIQPHJSKPG-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate
CID 83221351
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83221433
4-(2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanamide
CID 63041647
4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanamide
CID 63053485
2-ethyl-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-amine
CID 83219853
4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide
CID 106588626
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide
CID 104968607
2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide
CID 83221829
methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 83221825
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide
CID 81199567
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide
CID 63466348
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 83221002

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide?
The IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide (CID 83221430) is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide?
The canonical SMILES for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide is CCCNC(CCN1C(C)CCC1CC)C(N)=O.
What is the InChIKey of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide?
The InChIKey is WRXRUIQPHJSKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-9-16-13(14(15)18)8-10-17-11(3)6-7-12(17)5-2/h11-13,16H,4-10H2,1-3H3,(H2,15,18).
What are the key properties of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide?
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide is sourced from PubChem (CID 83221430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).