1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine

C15H29N3 — CID 114526215

IUPAC1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccn(CCCN(C)C)c1
InChIInChI=1S/C15H29N3/c1-5-9-16-15(6-2)14-8-12-18(13-14)11-7-10-17(3)4/h8,12-13,15-16H,5-7,9-11H2,1-4H3
InChIKeyMKQMLGRBJMETAA-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.89
Rot. Bonds9

About 1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine

1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine (PubChem CID 114526215) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine
PubChem CID114526215
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccn(CCCN(C)C)c1
InChIInChI=1S/C15H29N3/c1-5-9-16-15(6-2)14-8-12-18(13-14)11-7-10-17(3)4/h8,12-13,15-16H,5-7,9-11H2,1-4H3
InChIKeyMKQMLGRBJMETAA-UHFFFAOYSA-N
XLogP2.89
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740
5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile
CID 79105888
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105358
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998
1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]butan-1-ol
CID 114526149
1-[2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899275
N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105617
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104829
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
N-ethyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]propan-1-amine
CID 113326680

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine (CID 114526215) is 1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine is CCCNC(CC)c1ccn(CCCN(C)C)c1.
What is the InChIKey of 1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine?
The InChIKey is MKQMLGRBJMETAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-9-16-15(6-2)14-8-12-18(13-14)11-7-10-17(3)4/h8,12-13,15-16H,5-7,9-11H2,1-4H3.
What are the key properties of 1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine?
1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 114526215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).