2-porphyrin-2-ylethanamine

C22H17N5 — CID 66810021

IUPAC2-porphyrin-2-ylethanamine
SMILESNCCC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C22H17N5/c23-8-7-14-9-21-12-19-4-3-17(25-19)10-15-1-2-16(24-15)11-18-5-6-20(26-18)13-22(14)27-21/h1-6,9-13H,7-8,23H2/b15-10-,16-11-,17-10-,18-11-,19-12-,20-13-,21-12-,22-13-
InChIKeyVUMVNNJJOMSHPW-LGRBBWKFSA-N
MW351.41 g/mol
LogP3.30
Rot. Bonds2

About 2-porphyrin-2-ylethanamine

2-porphyrin-2-ylethanamine (PubChem CID 66810021) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-porphyrin-2-ylethanamine.

Molecular Properties

Compound Name2-porphyrin-2-ylethanamine
PubChem CID66810021
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name2-porphyrin-2-ylethanamine
SMILESNCCC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C22H17N5/c23-8-7-14-9-21-12-19-4-3-17(25-19)10-15-1-2-16(24-15)11-18-5-6-20(26-18)13-22(14)27-21/h1-6,9-13H,7-8,23H2/b15-10-,16-11-,17-10-,18-11-,19-12-,20-13-,21-12-,22-13-
InChIKeyVUMVNNJJOMSHPW-LGRBBWKFSA-N
XLogP3.30
TPSA75.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-porphyrin-2-ylethanamine?
The IUPAC name of 2-porphyrin-2-ylethanamine (CID 66810021) is 2-porphyrin-2-ylethanamine.
What is the SMILES notation for 2-porphyrin-2-ylethanamine?
The canonical SMILES for 2-porphyrin-2-ylethanamine is NCCC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1.
What is the InChIKey of 2-porphyrin-2-ylethanamine?
The InChIKey is VUMVNNJJOMSHPW-LGRBBWKFSA-N. The full InChI is InChI=1S/C22H17N5/c23-8-7-14-9-21-12-19-4-3-17(25-19)10-15-1-2-16(24-15)11-18-5-6-20(26-18)13-22(14)27-21/h1-6,9-13H,7-8,23H2/b15-10-,16-11-,17-10-,18-11-,19-12-,20-13-,21-12-,22-13-.
What are the key properties of 2-porphyrin-2-ylethanamine?
2-porphyrin-2-ylethanamine has a molecular weight of 351.41 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-porphyrin-2-ylethanamine is sourced from PubChem (CID 66810021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).