1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine

C16H31N3 — CID 79104740

IUPAC1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccn(CCN(CC)CC)c1
InChIInChI=1S/C16H31N3/c1-5-10-17-16(6-2)15-9-11-19(14-15)13-12-18(7-3)8-4/h9,11,14,16-17H,5-8,10,12-13H2,1-4H3
InChIKeyRFHANHKYSVAMRQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.28
Rot. Bonds10

About 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine

1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine (PubChem CID 79104740) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
PubChem CID79104740
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccn(CCN(CC)CC)c1
InChIInChI=1S/C16H31N3/c1-5-10-17-16(6-2)15-9-11-19(14-15)13-12-18(7-3)8-4/h9,11,14,16-17H,5-8,10,12-13H2,1-4H3
InChIKeyRFHANHKYSVAMRQ-UHFFFAOYSA-N
XLogP3.28
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 114526215
N-[cyclopropyl-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103596
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998
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
5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile
CID 79105888
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine
CID 79104699
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
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104829
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79109772

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine (CID 79104740) is 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine is CCCNC(CC)c1ccn(CCN(CC)CC)c1.
What is the InChIKey of 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine?
The InChIKey is RFHANHKYSVAMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-10-17-16(6-2)15-9-11-19(14-15)13-12-18(7-3)8-4/h9,11,14,16-17H,5-8,10,12-13H2,1-4H3.
What are the key properties of 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine?
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 79104740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).