3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide

C14H25N3O — CID 66401250

IUPAC3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1cccc1CNC(C)(C)C
InChIInChI=1S/C14H25N3O/c1-14(2,3)15-11-12-7-6-9-17(12)10-8-13(18)16(4)5/h6-7,9,15H,8,10-11H2,1-5H3
InChIKeyJJHCAAFARBOOBB-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.85
Rot. Bonds5

About 3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide

3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide (PubChem CID 66401250) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
PubChem CID66401250
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1cccc1CNC(C)(C)C
InChIInChI=1S/C14H25N3O/c1-14(2,3)15-11-12-7-6-9-17(12)10-8-13(18)16(4)5/h6-7,9,15H,8,10-11H2,1-5H3
InChIKeyJJHCAAFARBOOBB-UHFFFAOYSA-N
XLogP1.85
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
CID 66401427
2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401243
2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401049
5-[2-[(tert-butylamino)methyl]pyrrol-1-yl]pentanenitrile
CID 66402231
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401246
2-methyl-N-[[1-(4-phenylbutyl)pyrrol-2-yl]methyl]propan-2-amine
CID 114334303
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide
CID 66401632
N-[[1-(3-methoxy-3-methylbutyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 103034968
propan-2-yl 2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]acetate
CID 66402993
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66402034
5-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 66403383
N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide
CID 66402331

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide (CID 66401250) is 3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCn1cccc1CNC(C)(C)C.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is JJHCAAFARBOOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,3)15-11-12-7-6-9-17(12)10-8-13(18)16(4)5/h6-7,9,15H,8,10-11H2,1-5H3.
What are the key properties of 3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide?
3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 251.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 66401250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).