3-ethylporphyrin-2-amine

C22H17N5 — CID 70365468

IUPAC3-ethylporphyrin-2-amine
SMILESCCC1=C(N)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C22H17N5/c1-2-19-20-11-17-7-5-15(25-17)9-13-3-4-14(24-13)10-16-6-8-18(26-16)12-21(27-20)22(19)23/h3-12H,2,23H2,1H3/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,20-11-,21-12-
InChIKeyGGLLJXHYYQKCKN-ICIGFYOOSA-N
MW351.41 g/mol
LogP3.65
Rot. Bonds1

About 3-ethylporphyrin-2-amine

3-ethylporphyrin-2-amine (PubChem CID 70365468) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-ethylporphyrin-2-amine.

Molecular Properties

Compound Name3-ethylporphyrin-2-amine
PubChem CID70365468
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name3-ethylporphyrin-2-amine
SMILESCCC1=C(N)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C22H17N5/c1-2-19-20-11-17-7-5-15(25-17)9-13-3-4-14(24-13)10-16-6-8-18(26-16)12-21(27-20)22(19)23/h3-12H,2,23H2,1H3/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,20-11-,21-12-
InChIKeyGGLLJXHYYQKCKN-ICIGFYOOSA-N
XLogP3.65
TPSA75.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,19-Ditert-butyl-21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(21),2(24),3,5,7,9,11,13,15,17,19-undecaene
CID 101912361
Azacarbaporphyrin
CID 12038732
9,10,19,20-Tetra-n-propylporphycene
CID 129711166
CID 519828
CID 519828
4,21,22,23-Tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16(22),17,19-undecaene
CID 176430933
2,8,12,18-Tetraethyl-3,7,13,17-tetramethylporphyrin
CID 5380079
2,7,12,17-Tetraethyl-3,8,13,18-tetramethylporphyrin
CID 5380089
2,7,12,18-Tetraethyl-3,8,13,17-tetramethylporphyrin
CID 5463301
CID 23534201
CID 23534201
2,3,5,7,8,10,12,13-Octaethylporphyrin
CID 66586408
2,3,5,7,8,10,12,13-Octaethylporphyrin;ZINC
CID 66586467
2-Ethylporphyrin
CID 66605417

Frequently Asked Questions

What is the IUPAC name of 3-ethylporphyrin-2-amine?
The IUPAC name of 3-ethylporphyrin-2-amine (CID 70365468) is 3-ethylporphyrin-2-amine.
What is the SMILES notation for 3-ethylporphyrin-2-amine?
The canonical SMILES for 3-ethylporphyrin-2-amine is CCC1=C(N)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.
What is the InChIKey of 3-ethylporphyrin-2-amine?
The InChIKey is GGLLJXHYYQKCKN-ICIGFYOOSA-N. The full InChI is InChI=1S/C22H17N5/c1-2-19-20-11-17-7-5-15(25-17)9-13-3-4-14(24-13)10-16-6-8-18(26-16)12-21(27-20)22(19)23/h3-12H,2,23H2,1H3/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,20-11-,21-12-.
What are the key properties of 3-ethylporphyrin-2-amine?
3-ethylporphyrin-2-amine has a molecular weight of 351.41 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylporphyrin-2-amine is sourced from PubChem (CID 70365468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).