3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide

C16H27N3O — CID 79103501

IUPAC3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
SMILESCCCNC(c1ccn(CCC(=O)N(C)C)c1)C1CC1
InChIInChI=1S/C16H27N3O/c1-4-9-17-16(13-5-6-13)14-7-10-19(12-14)11-8-15(20)18(2)3/h7,10,12-13,16-17H,4-6,8-9,11H2,1-3H3
InChIKeyBQOQVGBJKGPMBV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.42
Rot. Bonds8

About 3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide

3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide (PubChem CID 79103501) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
PubChem CID79103501
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide
SMILESCCCNC(c1ccn(CCC(=O)N(C)C)c1)C1CC1
InChIInChI=1S/C16H27N3O/c1-4-9-17-16(13-5-6-13)14-7-10-19(12-14)11-8-15(20)18(2)3/h7,10,12-13,16-17H,4-6,8-9,11H2,1-3H3
InChIKeyBQOQVGBJKGPMBV-UHFFFAOYSA-N
XLogP2.42
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
CID 79104467
N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103596
N-[cyclopropyl-[1-(2-methylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79103503
2-[2-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]ethoxy]ethanol
CID 79103165
N-[cyclopropyl-[1-(2-propan-2-ylsulfonylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 106717799
3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79110051
N-[cyclopropyl-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 79099233
4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
CID 79104025
methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate
CID 79103936
N-[cyclopropyl-[1-[3-(oxolan-2-yl)propyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099642
N-[cyclopropyl-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103691
3-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79097273

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide (CID 79103501) is 3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide is CCCNC(c1ccn(CCC(=O)N(C)C)c1)C1CC1.
What is the InChIKey of 3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is BQOQVGBJKGPMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-9-17-16(13-5-6-13)14-7-10-19(12-14)11-8-15(20)18(2)3/h7,10,12-13,16-17H,4-6,8-9,11H2,1-3H3.
What are the key properties of 3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide?
3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 79103501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).