1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol

C12H25N5O2 — CID 123225679

IUPAC1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
SMILESNCCNCCNCCNCCn1c(O)ccc1O
InChIInChI=1S/C12H25N5O2/c13-3-4-14-5-6-15-7-8-16-9-10-17-11(18)1-2-12(17)19/h1-2,14-16,18-19H,3-10,13H2
InChIKeyYVWWSNIHVVQTOP-UHFFFAOYSA-N
MW271.36 g/mol
LogP-1.37
Rot. Bonds11

About 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol

1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol (PubChem CID 123225679) has the molecular formula C12H25N5O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
PubChem CID123225679
Molecular FormulaC12H25N5O2
Molecular Weight271.36 g/mol
Exact Mass271.20
IUPAC Name1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
SMILESNCCNCCNCCNCCn1c(O)ccc1O
InChIInChI=1S/C12H25N5O2/c13-3-4-14-5-6-15-7-8-16-9-10-17-11(18)1-2-12(17)19/h1-2,14-16,18-19H,3-10,13H2
InChIKeyYVWWSNIHVVQTOP-UHFFFAOYSA-N
XLogP-1.37
TPSA107.50 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methylpyrrole-2,5-diol
CID 21326740
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161
1-Ethylpyrrole-2,5-diol
CID 54068298
1-Pentylpyrrole-2,5-diol
CID 54382624
1-(3,4,4-Trifluorobut-3-enyl)pyrrole-2,5-diol
CID 53856482
1-(2,2,2-Trifluoroethyl)pyrrole-2,5-diol
CID 91241711
1-(2,4,4,4-Tetrafluorobut-2-enyl)pyrrole-2,5-diol
CID 123244723
1-(2,2-Difluoroethyl)pyrrole-2,5-diol
CID 123363913
1-(Piperidin-4-ylmethyl)pyrrole-2,5-diol
CID 53633036
3-(2,5-Dihydroxypyrrol-1-yl)propyl-ethyl-dimethylazanium
CID 53638599
4-(2,5-Dihydroxypyrrol-1-yl)butan-2-one
CID 53647783
1-(2-Sulfanylethyl)pyrrole-2,5-diol
CID 53649574

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol?
The IUPAC name of 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol (CID 123225679) is 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol is NCCNCCNCCNCCn1c(O)ccc1O.
What is the InChIKey of 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol?
The InChIKey is YVWWSNIHVVQTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2/c13-3-4-14-5-6-15-7-8-16-9-10-17-11(18)1-2-12(17)19/h1-2,14-16,18-19H,3-10,13H2.
What are the key properties of 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol?
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol has a molecular weight of 271.36 g/mol, XLogP of -1.37, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol is sourced from PubChem (CID 123225679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).