2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin

C23H42N4 — CID 135081947

IUPAC2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin
SMILESCCCC1CC2CC3CCC(CC4CCC(CC5CCC(CC1N2)N5)N4)N3
InChIInChI=1S/C23H42N4/c1-2-3-15-10-22-13-20-7-6-18(25-20)11-16-4-5-17(24-16)12-19-8-9-21(26-19)14-23(15)27-22/h15-27H,2-14H2,1H3
InChIKeyKDMSDPYMCALWFU-UHFFFAOYSA-N
MW374.62 g/mol
LogP3.07
Rot. Bonds2

About 2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin

2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin (PubChem CID 135081947) has the molecular formula C23H42N4 and a molecular weight of 374.62 g/mol. Its IUPAC name is 2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin.

Molecular Properties

Compound Name2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin
PubChem CID135081947
Molecular FormulaC23H42N4
Molecular Weight374.62 g/mol
Exact Mass374.34
IUPAC Name2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin
SMILESCCCC1CC2CC3CCC(CC4CCC(CC5CCC(CC1N2)N5)N4)N3
InChIInChI=1S/C23H42N4/c1-2-3-15-10-22-13-20-7-6-18(25-20)11-16-4-5-17(24-16)12-19-8-9-21(26-19)14-23(15)27-22/h15-27H,2-14H2,1H3
InChIKeyKDMSDPYMCALWFU-UHFFFAOYSA-N
XLogP3.07
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.62
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin?
The IUPAC name of 2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin (CID 135081947) is 2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin.
What is the SMILES notation for 2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin?
The canonical SMILES for 2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin is CCCC1CC2CC3CCC(CC4CCC(CC5CCC(CC1N2)N5)N4)N3.
What is the InChIKey of 2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin?
The InChIKey is KDMSDPYMCALWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4/c1-2-3-15-10-22-13-20-7-6-18(25-20)11-16-4-5-17(24-16)12-19-8-9-21(26-19)14-23(15)27-22/h15-27H,2-14H2,1H3.
What are the key properties of 2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin?
2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin has a molecular weight of 374.62 g/mol, XLogP of 3.07, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin is sourced from PubChem (CID 135081947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).