potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide

C28H30KN3O2 — CID 142148875

IUPACpotassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide
SMILESCCc1ccc(CN)c(C[N-]CN(C(=O)C2(O)c3ccccc3-c3ccccc32)C2CC2)c1.[K+]
InChIInChI=1S/C28H30N3O2.K/c1-2-19-11-12-20(16-29)21(15-19)17-30-18-31(22-13-14-22)27(32)28(33)25-9-5-3-7-23(25)24-8-4-6-10-26(24)28;/h3-12,15,22,33H,2,13-14,16-18,29H2,1H3;/q-1;+1
InChIKeyLYIWAJRDBNKDET-UHFFFAOYSA-N
MW479.67 g/mol
LogP1.45
Rot. Bonds8

About potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide

potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide (PubChem CID 142148875) has the molecular formula C28H30KN3O2 and a molecular weight of 479.67 g/mol. Its IUPAC name is potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide.

Molecular Properties

Compound Namepotassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide
PubChem CID142148875
Molecular FormulaC28H30KN3O2
Molecular Weight479.67 g/mol
Exact Mass479.20
IUPAC Namepotassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide
SMILESCCc1ccc(CN)c(C[N-]CN(C(=O)C2(O)c3ccccc3-c3ccccc32)C2CC2)c1.[K+]
InChIInChI=1S/C28H30N3O2.K/c1-2-19-11-12-20(16-29)21(15-19)17-30-18-31(22-13-14-22)27(32)28(33)25-9-5-3-7-23(25)24-8-4-6-10-26(24)28;/h3-12,15,22,33H,2,13-14,16-18,29H2,1H3;/q-1;+1
InChIKeyLYIWAJRDBNKDET-UHFFFAOYSA-N
XLogP1.45
TPSA80.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide?
The IUPAC name of potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide (CID 142148875) is potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide.
What is the SMILES notation for potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide?
The canonical SMILES for potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide is CCc1ccc(CN)c(C[N-]CN(C(=O)C2(O)c3ccccc3-c3ccccc32)C2CC2)c1.[K+].
What is the InChIKey of potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide?
The InChIKey is LYIWAJRDBNKDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N3O2.K/c1-2-19-11-12-20(16-29)21(15-19)17-30-18-31(22-13-14-22)27(32)28(33)25-9-5-3-7-23(25)24-8-4-6-10-26(24)28;/h3-12,15,22,33H,2,13-14,16-18,29H2,1H3;/q-1;+1.
What are the key properties of potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide?
potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide has a molecular weight of 479.67 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide is sourced from PubChem (CID 142148875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).