3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide

C16H33N3O — CID 61276030

IUPAC3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
SMILESCC(C)C(CNC(=O)CCNC(C)(C)C)N1CCCC1
InChIInChI=1S/C16H33N3O/c1-13(2)14(19-10-6-7-11-19)12-17-15(20)8-9-18-16(3,4)5/h13-14,18H,6-12H2,1-5H3,(H,17,20)
InChIKeyZOCISPPLUCAOGG-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds7

About 3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide

3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide (PubChem CID 61276030) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
PubChem CID61276030
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
SMILESCC(C)C(CNC(=O)CCNC(C)(C)C)N1CCCC1
InChIInChI=1S/C16H33N3O/c1-13(2)14(19-10-6-7-11-19)12-17-15(20)8-9-18-16(3,4)5/h13-14,18H,6-12H2,1-5H3,(H,17,20)
InChIKeyZOCISPPLUCAOGG-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 82012268
3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
CID 64599712
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 61276217
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825
4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 55204260
3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid
CID 62964716
2-(2-methoxyethylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 79282670
3-[[N-[2-(azepan-1-yl)-3-methylbutyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 111937427
3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide
CID 61042831

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide (CID 61276030) is 3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide is CC(C)C(CNC(=O)CCNC(C)(C)C)N1CCCC1.
What is the InChIKey of 3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide?
The InChIKey is ZOCISPPLUCAOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2)14(19-10-6-7-11-19)12-17-15(20)8-9-18-16(3,4)5/h13-14,18H,6-12H2,1-5H3,(H,17,20).
What are the key properties of 3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide?
3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide has a molecular weight of 283.46 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide is sourced from PubChem (CID 61276030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).