N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine

C15H27N3O — CID 79099347

IUPACN-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccn(CCN2CCOCC2)c1
InChIInChI=1S/C15H27N3O/c1-3-5-16-14(2)15-4-6-18(13-15)8-7-17-9-11-19-12-10-17/h4,6,13-14,16H,3,5,7-12H2,1-2H3
InChIKeyAEPPEVCQRHUQCV-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.88
Rot. Bonds7

About N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine

N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine (PubChem CID 79099347) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
PubChem CID79099347
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccn(CCN2CCOCC2)c1
InChIInChI=1S/C15H27N3O/c1-3-5-16-14(2)15-4-6-18(13-15)8-7-17-9-11-19-12-10-17/h4,6,13-14,16H,3,5,7-12H2,1-2H3
InChIKeyAEPPEVCQRHUQCV-UHFFFAOYSA-N
XLogP1.88
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109421
1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol
CID 79110104
N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79098937
N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79109161
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
N-[1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79099254
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204957
N-[1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099452
1-(azepan-1-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]ethanone
CID 79109034
1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone
CID 79109647
N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79108467
1-(4-fluorophenyl)-3-morpholin-4-yl-N-propylpropan-1-amine
CID 62643389

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine (CID 79099347) is N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine is CCCNC(C)c1ccn(CCN2CCOCC2)c1.
What is the InChIKey of N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine?
The InChIKey is AEPPEVCQRHUQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-5-16-14(2)15-4-6-18(13-15)8-7-17-9-11-19-12-10-17/h4,6,13-14,16H,3,5,7-12H2,1-2H3.
What are the key properties of N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine?
N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79099347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).